(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C18H15FN4O2 — CID 41015242

IUPAC(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc(-c4cccnc4)no3)CC2=O)cc1F
InChIInChI=1S/C18H15FN4O2/c1-11-4-5-14(8-15(11)19)23-10-13(7-16(23)24)18-21-17(22-25-18)12-3-2-6-20-9-12/h2-6,8-9,13H,7,10H2,1H3/t13-/m0/s1
InChIKeyGLTCZNPPJYFKOP-ZDUSSCGKSA-N
MW338.34 g/mol
LogP3.10
Rot. Bonds3

About (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 41015242) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID41015242
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc(-c4cccnc4)no3)CC2=O)cc1F
InChIInChI=1S/C18H15FN4O2/c1-11-4-5-14(8-15(11)19)23-10-13(7-16(23)24)18-21-17(22-25-18)12-3-2-6-20-9-12/h2-6,8-9,13H,7,10H2,1H3/t13-/m0/s1
InChIKeyGLTCZNPPJYFKOP-ZDUSSCGKSA-N
XLogP3.10
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 93492767
(4R)-1-(4-fluorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015858
(4R)-1-(3-chloro-4-methylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015145
5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 171148663
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
1-(3,4-dimethylphenyl)-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16956804
(4S)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 41015909
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 41015242) is (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](c3nc(-c4cccnc4)no3)CC2=O)cc1F.
What is the InChIKey of (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is GLTCZNPPJYFKOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11-4-5-14(8-15(11)19)23-10-13(7-16(23)24)18-21-17(22-25-18)12-3-2-6-20-9-12/h2-6,8-9,13H,7,10H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 338.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 41015242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).