3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole

C23H18ClNO — CID 10594654

IUPAC3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole
SMILESClc1ccc(C2=NOC(/C=C/c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C23H18ClNO/c24-21-13-11-19(12-14-21)22-17-23(26-25-22,20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1-16H,17H2/b16-15+
InChIKeyIZMXMIOZQSOBBW-FOCLMDBBSA-N
MW359.86 g/mol
LogP6.07
Rot. Bonds4

About 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole

3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole (PubChem CID 10594654) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole
PubChem CID10594654
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole
SMILESClc1ccc(C2=NOC(/C=C/c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C23H18ClNO/c24-21-13-11-19(12-14-21)22-17-23(26-25-22,20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1-16H,17H2/b16-15+
InChIKeyIZMXMIOZQSOBBW-FOCLMDBBSA-N
XLogP6.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
CID 102113523
4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde
CID 58473783
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 42882800
3-(4-chlorophenyl)-4-cinnamylidene-1,2-oxazol-5-one
CID 685391
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 68864607
5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
CID 58473804
(3,5-diphenyl-4H-1,2-oxazol-5-yl)methanol
CID 14688929
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
CID 136665622
[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
CID 66643815
(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668255
(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7597362

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole (CID 10594654) is 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole is Clc1ccc(C2=NOC(/C=C/c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole?
The InChIKey is IZMXMIOZQSOBBW-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H18ClNO/c24-21-13-11-19(12-14-21)22-17-23(26-25-22,20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1-16H,17H2/b16-15+.
What are the key properties of 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole?
3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole has a molecular weight of 359.86 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole is sourced from PubChem (CID 10594654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).