4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane

C21H23NO2 — CID 144634986

IUPAC4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
SMILESCC.CC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H17NO2.C2H6/c1-14(21)12-13-17-20-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16;1-2/h2-11H,12-13H2,1H3;1-2H3
InChIKeyKSWZMEPJUQEOTQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.56
Rot. Bonds5

About 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane

4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane (PubChem CID 144634986) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane.

Molecular Properties

Compound Name4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
PubChem CID144634986
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
SMILESCC.CC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H17NO2.C2H6/c1-14(21)12-13-17-20-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16;1-2/h2-11H,12-13H2,1H3;1-2H3
InChIKeyKSWZMEPJUQEOTQ-UHFFFAOYSA-N
XLogP5.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 175600148
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole
CID 89433525
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]butan-2-one;hydrochloride
CID 43833962
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 11947956

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane?
The IUPAC name of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane (CID 144634986) is 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane.
What is the SMILES notation for 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane?
The canonical SMILES for 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane is CC.CC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane?
The InChIKey is KSWZMEPJUQEOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2.C2H6/c1-14(21)12-13-17-20-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16;1-2/h2-11H,12-13H2,1H3;1-2H3.
What are the key properties of 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane?
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane has a molecular weight of 321.42 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane is sourced from PubChem (CID 144634986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).