(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C20H20N4O3 — CID 99742137

IUPAC(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3noc(-c4ccc(OC)nc4)n3)CC2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-3-13-4-7-16(8-5-13)24-12-15(10-18(24)25)19-22-20(27-23-19)14-6-9-17(26-2)21-11-14/h4-9,11,15H,3,10,12H2,1-2H3/t15-/m0/s1
InChIKeyUMBBTXGQYBFPEZ-HNNXBMFYSA-N
MW364.41 g/mol
LogP3.22
Rot. Bonds5

About (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99742137) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99742137
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3noc(-c4ccc(OC)nc4)n3)CC2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-3-13-4-7-16(8-5-13)24-12-15(10-18(24)25)19-22-20(27-23-19)14-6-9-17(26-2)21-11-14/h4-9,11,15H,3,10,12H2,1-2H3/t15-/m0/s1
InChIKeyUMBBTXGQYBFPEZ-HNNXBMFYSA-N
XLogP3.22
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99742145
1-(4-ethylphenyl)-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91916864
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 99742157
1-(4-methoxyphenyl)-4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91906756
(4S)-4-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 99742075
(4R)-1-(4-methoxyphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 95105709
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742036
(4R)-1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 94199968
(4S)-1-(4-chlorophenyl)-4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741906
(4R)-1-(4-methoxyphenyl)-4-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99742098
(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99742137) is (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is CCc1ccc(N2C[C@@H](c3noc(-c4ccc(OC)nc4)n3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is UMBBTXGQYBFPEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-13-4-7-16(8-5-13)24-12-15(10-18(24)25)19-22-20(27-23-19)14-6-9-17(26-2)21-11-14/h4-9,11,15H,3,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99742137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).