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

C15H16FN3O2 — CID 93492773

IUPAC(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
SMILESCCc1noc([C@H]2CC(=O)N(c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C15H16FN3O2/c1-3-13-17-15(21-18-13)10-7-14(20)19(8-10)12-5-4-11(16)6-9(12)2/h4-6,10H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyIGUMDTDZWOXCSD-JTQLQIEISA-N
MW289.31 g/mol
LogP2.60
Rot. Bonds3

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

(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one (PubChem CID 93492773) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
PubChem CID93492773
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
SMILESCCc1noc([C@H]2CC(=O)N(c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C15H16FN3O2/c1-3-13-17-15(21-18-13)10-7-14(20)19(8-10)12-5-4-11(16)6-9(12)2/h4-6,10H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyIGUMDTDZWOXCSD-JTQLQIEISA-N
XLogP2.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 93492799
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
(4S)-1-(2,4-dimethylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42585896
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
1-(4-fluoro-3-methylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126780599
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120868561
(4R)-1-(4-fluorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015858
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 119039342
4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 46378623
1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16956006

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one (CID 93492773) is (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one is CCc1noc([C@H]2CC(=O)N(c3ccc(F)cc3C)C2)n1.
What is the InChIKey of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is IGUMDTDZWOXCSD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-3-13-17-15(21-18-13)10-7-14(20)19(8-10)12-5-4-11(16)6-9(12)2/h4-6,10H,3,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one?
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 289.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 93492773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).