1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate

C14H15NO3 — CID 138963409

IUPAC1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C14H15NO3/c1-9(17-11(3)16)13-10(2)18-14(15-13)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyZZGPHZNTXBHUEQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.27
Rot. Bonds3

About 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate

1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate (PubChem CID 138963409) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate.

Molecular Properties

Compound Name1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate
PubChem CID138963409
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C14H15NO3/c1-9(17-11(3)16)13-10(2)18-14(15-13)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyZZGPHZNTXBHUEQ-UHFFFAOYSA-N
XLogP3.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate 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

1-[5-methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethyl acetate
CID 20730372
[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605722
(E)-3-[3-methoxy-4-[1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enal
CID 21224490
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950375
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727103
3-(5-bromothiophen-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-3-oxopropanoic acid
CID 19888760
2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119209043
2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]propyl 4-methylbenzenesulfonate
CID 87796805
[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726289
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 40712351

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate?
The IUPAC name of 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate (CID 138963409) is 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate.
What is the SMILES notation for 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate?
The canonical SMILES for 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate is CC(=O)OC(C)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate?
The InChIKey is ZZGPHZNTXBHUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(17-11(3)16)13-10(2)18-14(15-13)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate?
1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate has a molecular weight of 245.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate is sourced from PubChem (CID 138963409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).