5-Phenyl-N-[3-(2-thiazolyl)propyl]-3-isoxazolecarboxamide
C16H15N3O2S
2765218-56-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.3657 1.5400 0.0 0
M  V30 2 N 9.6996 2.3100 0.0 0
M  V30 3 O 8.3657 0.0000 0.0 0
M  V30 4 C 11.0332 1.5400 0.0 0
M  V30 5 C 12.3669 2.3100 0.0 0
M  V30 6 C 13.7006 1.5400 0.0 0
M  V30 7 C 4.5947 2.8281 0.0 0
M  V30 8 C 5.6253 1.6836 0.0 0
M  V30 9 O 5.3647 4.1618 0.0 0
M  V30 10 C 7.0321 2.3100 0.0 0
M  V30 11 N 6.8711 3.8416 0.0 0
M  V30 12 C 3.0631 2.6672 0.0 0
M  V30 13 C 2.4368 1.2602 0.0 0
M  V30 14 C 2.1579 3.9131 0.0 0
M  V30 15 C 0.9052 1.0993 0.0 0
M  V30 16 C 0.6263 3.7521 0.0 0
M  V30 17 C 0.0000 2.3452 0.0 0
M  V30 18 C 15.0344 2.3100 0.0 0
M  V30 19 N 15.1953 3.8416 0.0 0
M  V30 20 S 16.4412 1.6836 0.0 0
M  V30 21 C 16.7016 4.1618 0.0 0
M  V30 22 C 17.4716 2.8281 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 10
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 18
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 7 12
M  V30 11 1 8 10
M  V30 12 1 9 11
M  V30 13 2 10 11
M  V30 14 2 12 13
M  V30 15 1 12 14
M  V30 16 1 13 15
M  V30 17 2 14 16
M  V30 18 2 15 17
M  V30 19 1 16 17
M  V30 20 2 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 1 20 22
M  V30 24 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2765218-56-0

> <cas.index.name>
3-Isoxazolecarboxamide, 5-phenyl-N-[3-(2-thiazolyl)propyl]-

> <molecular.formula>
C16H15N3O2S

> <molecular.weight>
313.38

> <boiling.point.predicted>
559.1±45.0 °C    Press: 760 Torr

> <density.predicted>
1.266±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.06±0.46    Most Acidic Temp: 25 °C

$$$$
