(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one

C17H20ClN3O2 — CID 99130333

IUPAC(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)N1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-12(4-2)21-10-11(9-15(21)22)17-19-16(20-23-17)13-7-5-6-8-14(13)18/h5-8,11-12H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyINLJLKQXBSYSSR-LLVKDONJSA-N
MW333.82 g/mol
LogP3.89
Rot. Bonds5

About (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one

(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one (PubChem CID 99130333) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
PubChem CID99130333
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)N1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-12(4-2)21-10-11(9-15(21)22)17-19-16(20-23-17)13-7-5-6-8-14(13)18/h5-8,11-12H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyINLJLKQXBSYSSR-LLVKDONJSA-N
XLogP3.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 41015202
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 16956788
(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 125137770
(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492759
(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 125137757
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 166253742
[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 91888614
[(2R)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 125127290
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one (CID 99130333) is (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one is CCC(CC)N1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O.
What is the InChIKey of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one?
The InChIKey is INLJLKQXBSYSSR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-12(4-2)21-10-11(9-15(21)22)17-19-16(20-23-17)13-7-5-6-8-14(13)18/h5-8,11-12H,3-4,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one?
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one has a molecular weight of 333.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 99130333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).