1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one

C19H22N4O3 — CID 121098567

IUPAC1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1noc(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)n1
InChIInChI=1S/C19H22N4O3/c1-12(2)17-20-18(26-21-17)14-9-22(10-14)19(25)13-8-16(24)23(11-13)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyIXUUOONHADCLGB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds4

About 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one

1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121098567) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID121098567
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1noc(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)n1
InChIInChI=1S/C19H22N4O3/c1-12(2)17-20-18(26-21-17)14-9-22(10-14)19(25)13-8-16(24)23(11-13)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyIXUUOONHADCLGB-UHFFFAOYSA-N
XLogP2.17
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 121096653
4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 121097583
4-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 71783653
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121092639
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
(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-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 146743255
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one (CID 121098567) is 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one is CC(C)c1noc(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)n1.
What is the InChIKey of 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IXUUOONHADCLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)17-20-18(26-21-17)14-9-22(10-14)19(25)13-8-16(24)23(11-13)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one?
1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121098567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).