1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone

C23H18ClNO2 — CID 22295335

IUPAC1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C1(c2ccc(Cl)cc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C23H18ClNO2/c1-16(26)20-9-5-6-10-21(20)23(18-11-13-19(24)14-12-18)15-22(25-27-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyGMHFYAHRCLZPRP-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.61
Rot. Bonds4

About 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone

1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone (PubChem CID 22295335) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone
PubChem CID22295335
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C1(c2ccc(Cl)cc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C23H18ClNO2/c1-16(26)20-9-5-6-10-21(20)23(18-11-13-19(24)14-12-18)15-22(25-27-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyGMHFYAHRCLZPRP-UHFFFAOYSA-N
XLogP5.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2800149
4-(4-chlorophenyl)-1H-2,3-benzoxazin-1-one
CID 327658
[[2-Oxo-2-(2,3,4,5,6-pentamethylphenyl)-1-phenylethylidene]amino] 3,4-dichlorobenzoate
CID 2803523
3-chlorobenzoic acid (3,4-dihydro-2H-naphthalen-1-ylideneamino) ester
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[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-chlorobenzoate
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1-{4-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-phenyl}-3-methyl-butan-1-one
CID 53345776
1-[3-(4-chloro-2-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58095984

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone (CID 22295335) is 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone is CC(=O)c1ccccc1C1(c2ccc(Cl)cc2)CC(c2ccccc2)=NO1.
What is the InChIKey of 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone?
The InChIKey is GMHFYAHRCLZPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-16(26)20-9-5-6-10-21(20)23(18-11-13-19(24)14-12-18)15-22(25-27-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone?
1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone has a molecular weight of 375.86 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 22295335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).