4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one

C15H16N2O4 — CID 168662488

IUPAC4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCOc1cccc(-c2cc(N3CC(CO)CC3=O)on2)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-4-2-3-11(6-12)13-7-15(21-16-13)17-8-10(9-18)5-14(17)19/h2-4,6-7,10,18H,5,8-9H2,1H3
InChIKeyITXRZKJTPNKEDF-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.70
Rot. Bonds4

About 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 168662488) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID168662488
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCOc1cccc(-c2cc(N3CC(CO)CC3=O)on2)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-4-2-3-11(6-12)13-7-15(21-16-13)17-8-10(9-18)5-14(17)19/h2-4,6-7,10,18H,5,8-9H2,1H3
InChIKeyITXRZKJTPNKEDF-UHFFFAOYSA-N
XLogP1.70
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-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

methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693526
1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714172
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
4-(bromomethyl)-1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168505960
methyl 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693705
4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168509278
4-(hydroxymethyl)-1-[4-[2-(hydroxymethyl)-4-methoxyphenyl]phenyl]pyrrolidin-2-one
CID 136553196
(3aS,6aR)-5-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 167751118
4-(hydroxymethyl)-1-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 168661998
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 168662488) is 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one is COc1cccc(-c2cc(N3CC(CO)CC3=O)on2)c1.
What is the InChIKey of 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The InChIKey is ITXRZKJTPNKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-12-4-2-3-11(6-12)13-7-15(21-16-13)17-8-10(9-18)5-14(17)19/h2-4,6-7,10,18H,5,8-9H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 288.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 168662488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).