(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

C16H19N3O2 — CID 97454970

IUPAC(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1noc([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)12-4-6-14(7-5-12)19-9-13(8-15(19)20)16-17-11(3)18-21-16/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyHRJUDBDKVWBVLK-ZDUSSCGKSA-N
MW285.35 g/mol
LogP3.02
Rot. Bonds3

About (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 97454970) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID97454970
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1noc([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)12-4-6-14(7-5-12)19-9-13(8-15(19)20)16-17-11(3)18-21-16/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyHRJUDBDKVWBVLK-ZDUSSCGKSA-N
XLogP3.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896227
(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51894123
1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16875651
(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492744
(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896216
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
1-(4-chlorophenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120868638
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894132
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 120860230
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (CID 97454970) is (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is Cc1noc([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1.
What is the InChIKey of (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is HRJUDBDKVWBVLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)12-4-6-14(7-5-12)19-9-13(8-15(19)20)16-17-11(3)18-21-16/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 97454970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).