[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate

C15H14N2O4 — CID 51218356

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
SMILESCc1cc(C(=O)Oc2ccc(N3CCCC3=O)cc2)no1
InChIInChI=1S/C15H14N2O4/c1-10-9-13(16-21-10)15(19)20-12-6-4-11(5-7-12)17-8-2-3-14(17)18/h4-7,9H,2-3,8H2,1H3
InChIKeyGQDLCIMYCUHJSX-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.33
Rot. Bonds3

About [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate

[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 51218356) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
PubChem CID51218356
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
SMILESCc1cc(C(=O)Oc2ccc(N3CCCC3=O)cc2)no1
InChIInChI=1S/C15H14N2O4/c1-10-9-13(16-21-10)15(19)20-12-6-4-11(5-7-12)17-8-2-3-14(17)18/h4-7,9H,2-3,8H2,1H3
InChIKeyGQDLCIMYCUHJSX-UHFFFAOYSA-N
XLogP2.33
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate 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

[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544960
5-methyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
CID 90551143
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 134047665
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 46611893
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 134012112
[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate
CID 51117028
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
[4-(2-oxopyrrolidin-1-yl)phenyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30042815
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
CID 173299510

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate (CID 51218356) is [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate is Cc1cc(C(=O)Oc2ccc(N3CCCC3=O)cc2)no1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is GQDLCIMYCUHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-9-13(16-21-10)15(19)20-12-6-4-11(5-7-12)17-8-2-3-14(17)18/h4-7,9H,2-3,8H2,1H3.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 51218356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).