[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol

C18H14ClNO2 — CID 66643815

IUPAC[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)noc1C=Cc1ccccc1
InChIInChI=1S/C18H14ClNO2/c19-15-9-7-14(8-10-15)18-16(12-21)17(22-20-18)11-6-13-4-2-1-3-5-13/h1-11,21H,12H2
InChIKeyZSJKZYZJDKUBKF-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.66
Rot. Bonds4

About [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol

[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 66643815) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
PubChem CID66643815
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)noc1C=Cc1ccccc1
InChIInChI=1S/C18H14ClNO2/c19-15-9-7-14(8-10-15)18-16(12-21)17(22-20-18)11-6-13-4-2-1-3-5-13/h1-11,21H,12H2
InChIKeyZSJKZYZJDKUBKF-UHFFFAOYSA-N
XLogP4.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
3-(2-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 57780773
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
CID 77521
1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one
CID 2745589
[3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl](4-fluorophenyl)methanone
CID 2805187
2-(2,6-Dichlorophenyl)-2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]methoxy}imino)acetonitrile
CID 9580784
[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](phenyl)methanone
CID 2805172
[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl](phenyl)methanone
CID 2805173
4-Chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol
CID 4063261

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol (CID 66643815) is [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccc(Cl)cc2)noc1C=Cc1ccccc1.
What is the InChIKey of [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is ZSJKZYZJDKUBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-15-9-7-14(8-10-15)18-16(12-21)17(22-20-18)11-6-13-4-2-1-3-5-13/h1-11,21H,12H2.
What are the key properties of [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol?
[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 311.77 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 66643815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).