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

C20H20N4O2 — CID 99742145

IUPAC(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3noc(-c4ccc(C)nc4)n3)CC2=O)cc1
InChIInChI=1S/C20H20N4O2/c1-3-14-5-8-17(9-6-14)24-12-16(10-18(24)25)19-22-20(26-23-19)15-7-4-13(2)21-11-15/h4-9,11,16H,3,10,12H2,1-2H3/t16-/m0/s1
InChIKeyFOZWQUHDKXWDJD-INIZCTEOSA-N
MW348.41 g/mol
LogP3.52
Rot. Bonds4

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

(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99742145) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99742145
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3noc(-c4ccc(C)nc4)n3)CC2=O)cc1
InChIInChI=1S/C20H20N4O2/c1-3-14-5-8-17(9-6-14)24-12-16(10-18(24)25)19-22-20(26-23-19)15-7-4-13(2)21-11-15/h4-9,11,16H,3,10,12H2,1-2H3/t16-/m0/s1
InChIKeyFOZWQUHDKXWDJD-INIZCTEOSA-N
XLogP3.52
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99742137
1-(4-ethylphenyl)-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91916864
(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 99742157
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
(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
(4R)-4-[5-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94200000
(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
4-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 91906701
(4R)-4-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99741981
(4R)-4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94199986

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99742145) is (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is CCc1ccc(N2C[C@@H](c3noc(-c4ccc(C)nc4)n3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is FOZWQUHDKXWDJD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-14-5-8-17(9-6-14)24-12-16(10-18(24)25)19-22-20(26-23-19)15-7-4-13(2)21-11-15/h4-9,11,16H,3,10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-ethylphenyl)-4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99742145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).