(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C14H13ClN2O3 — CID 170351570

IUPAC(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O)(c2coc(-c3cccc(Cl)c3)n2)C1=O
InChIInChI=1S/C14H13ClN2O3/c1-17-6-5-14(19,13(17)18)11-8-20-12(16-11)9-3-2-4-10(15)7-9/h2-4,7-8,19H,5-6H2,1H3/t14-/m0/s1
InChIKeyHRIDUJWTURLSRU-AWEZNQCLSA-N
MW292.72 g/mol
LogP2.04
Rot. Bonds2

About (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one

(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170351570) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170351570
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O)(c2coc(-c3cccc(Cl)c3)n2)C1=O
InChIInChI=1S/C14H13ClN2O3/c1-17-6-5-14(19,13(17)18)11-8-20-12(16-11)9-3-2-4-10(15)7-9/h2-4,7-8,19H,5-6H2,1H3/t14-/m0/s1
InChIKeyHRIDUJWTURLSRU-AWEZNQCLSA-N
XLogP2.04
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350746
(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303229
3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350572
3-hydroxy-1-methyl-3-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-4-yl]pyrrolidin-2-one
CID 170575019
4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 126770287
3-[5-[3-(4-amino-2-deuteriopyrido[3,2-d]pyrimidin-6-yl)phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263043
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47037834
5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 144586629
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646
3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 175964612
(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 170327098
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170351570) is (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@](O)(c2coc(-c3cccc(Cl)c3)n2)C1=O.
What is the InChIKey of (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is HRIDUJWTURLSRU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-17-6-5-14(19,13(17)18)11-8-20-12(16-11)9-3-2-4-10(15)7-9/h2-4,7-8,19H,5-6H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 292.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170351570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).