2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone

C18H17NO2 — CID 14899373

IUPAC2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone
SMILESCC1(CC(=O)c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17NO2/c1-18(13-17(20)15-10-6-3-7-11-15)12-16(19-21-18)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyLZONSHCHSHCZMT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone

2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone (PubChem CID 14899373) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone
PubChem CID14899373
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone
SMILESCC1(CC(=O)c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17NO2/c1-18(13-17(20)15-10-6-3-7-11-15)12-16(19-21-18)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyLZONSHCHSHCZMT-UHFFFAOYSA-N
XLogP3.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1E)-1,2-Diphenyl-1,2-ethanedione 1-oxime
CID 6399014
Benzil (Z)-monoxime
CID 6398987
4-(4-Fluorobenzoyl)-3-phenyl-1,2-oxazol-5(4H)-one
CID 15241761
Acetophenone, 2'-(3,5-diphenyl-2-isoxazolin-5-yl)-
CID 613689
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
4(5H)-Isoxazolone, 5,5-dimethyl-3-phenyl-
CID 786761
beta-Benzilmonoxime
CID 6419297
3-Phenyl-4-benzoyl-5-isoxazolone
CID 3656450
(2E)-2-methoxyimino-1,2-diphenylethanone
CID 5381880
4-(2-fluorobenzoyl)-3-methyl-4H-1,2-oxazol-5-one
CID 139215872
4-(4-fluorobenzoyl)-3-methyl-4H-1,2-oxazol-5-one
CID 139215873
[5-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
CID 176436077

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
The IUPAC name of 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone (CID 14899373) is 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
The canonical SMILES for 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone is CC1(CC(=O)c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
The InChIKey is LZONSHCHSHCZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(13-17(20)15-10-6-3-7-11-15)12-16(19-21-18)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3.
What are the key properties of 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone?
2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone has a molecular weight of 279.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1-phenylethanone is sourced from PubChem (CID 14899373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).