3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one

C20H17ClN2O3 — CID 118239082

IUPAC3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3ccccc3Cl)C2=O)ccc1-c1cnco1
InChIInChI=1S/C20H17ClN2O3/c1-25-18-10-13(6-7-16(18)19-11-22-12-26-19)23-9-8-15(20(23)24)14-4-2-3-5-17(14)21/h2-7,10-12,15H,8-9H2,1H3
InChIKeyMTQMNLOKLUAAGN-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.52
Rot. Bonds4

About 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one

3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 118239082) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
PubChem CID118239082
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3ccccc3Cl)C2=O)ccc1-c1cnco1
InChIInChI=1S/C20H17ClN2O3/c1-25-18-10-13(6-7-16(18)19-11-22-12-26-19)23-9-8-15(20(23)24)14-4-2-3-5-17(14)21/h2-7,10-12,15H,8-9H2,1H3
InChIKeyMTQMNLOKLUAAGN-UHFFFAOYSA-N
XLogP4.52
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
CID 125488963
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239100
(2R,6S)-4-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 142165611
5-hydroxy-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)pyrrolidin-2-one
CID 118239067
3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-phenyl-2H-1,3-oxazol-2-amine
CID 67046602
3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(2-methoxyphenyl)-4-methyl-2H-1,3-oxazol-2-amine
CID 67046578
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995
2-[2-(2,3-dihydro-1H-inden-1-yl)ethynyl]-5-methoxy-4-(1,3-oxazol-5-yl)aniline
CID 59124256
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione
CID 24994461
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one (CID 118239082) is 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one is COc1cc(N2CCC(c3ccccc3Cl)C2=O)ccc1-c1cnco1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is MTQMNLOKLUAAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-25-18-10-13(6-7-16(18)19-11-22-12-26-19)23-9-8-15(20(23)24)14-4-2-3-5-17(14)21/h2-7,10-12,15H,8-9H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?
3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 368.82 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118239082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).