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

C22H23N3O2 — CID 99742157

IUPAC(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-16-7-9-18(10-8-16)25-13-17(12-20(25)26)21-23-22(27-24-21)19-11-14(2)5-6-15(19)3/h5-11,17H,4,12-13H2,1-3H3/t17-/m0/s1
InChIKeyXQRGOVPLLQGTFY-KRWDZBQOSA-N
MW361.45 g/mol
LogP4.44
Rot. Bonds4

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

(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 99742157) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID99742157
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-16-7-9-18(10-8-16)25-13-17(12-20(25)26)21-23-22(27-24-21)19-11-14(2)5-6-15(19)3/h5-11,17H,4,12-13H2,1-3H3/t17-/m0/s1
InChIKeyXQRGOVPLLQGTFY-KRWDZBQOSA-N
XLogP4.44
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916842
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
(4S)-4-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99741958
1-(4-ethylphenyl)-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91916864
(4S)-1-(4-ethylphenyl)-4-[5-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99742137
(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
1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91906735
(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952
(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 98777829

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one (CID 99742157) is (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(N2C[C@@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1.
What is the InChIKey of (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is XQRGOVPLLQGTFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-16-7-9-18(10-8-16)25-13-17(12-20(25)26)21-23-22(27-24-21)19-11-14(2)5-6-15(19)3/h5-11,17H,4,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one?
(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 99742157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).