3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one

C14H17NO2 — CID 24823553

IUPAC3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one
SMILESCCCCn1c(C)c(-c2ccccc2)oc1=O
InChIInChI=1S/C14H17NO2/c1-3-4-10-15-11(2)13(17-14(15)16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyCICALMDNKOKMDH-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.22
Rot. Bonds4

About 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one

3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one (PubChem CID 24823553) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one
PubChem CID24823553
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one
SMILESCCCCn1c(C)c(-c2ccccc2)oc1=O
InChIInChI=1S/C14H17NO2/c1-3-4-10-15-11(2)13(17-14(15)16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyCICALMDNKOKMDH-UHFFFAOYSA-N
XLogP3.22
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one 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

Benzyl 3-pyrroline-1-carboxylate
CID 643471
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
CID 11074472
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
3-Methyl-4,5-diphenyl-1,3-oxazol-2(3H)-one
CID 12345609
Phenylmethyl (3S)-3-fluoro-1-pyrrolidinecarboxylate
CID 15197579
Benzyl piperidine-1-carboxylate
CID 228749
Benzyl 5-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 118388619
Benzyl cyanomethyl(4-(pyrrolidin-1-yl)butyl)carbamate
CID 46881923
Benzyl (3r)-3-fluoropyrrolidine-1-carboxylate
CID 15197578
Benzyl diethylcarbamate
CID 10262437

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one (CID 24823553) is 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one is CCCCn1c(C)c(-c2ccccc2)oc1=O.
What is the InChIKey of 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one?
The InChIKey is CICALMDNKOKMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-10-15-11(2)13(17-14(15)16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one?
3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 24823553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).