(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C19H24N4O3 — CID 95147317

IUPAC(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1
InChIInChI=1S/C19H24N4O3/c1-12(2)14-4-6-16(7-5-14)23-11-15(10-18(23)24)19(25)20-9-8-17-21-13(3)26-22-17/h4-7,12,15H,8-11H2,1-3H3,(H,20,25)/t15-/m0/s1
InChIKeySQFDNSOFPLYLHO-HNNXBMFYSA-N
MW356.43 g/mol
LogP2.21
Rot. Bonds6

About (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 95147317) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID95147317
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1
InChIInChI=1S/C19H24N4O3/c1-12(2)14-4-6-16(7-5-14)23-11-15(10-18(23)24)19(25)20-9-8-17-21-13(3)26-22-17/h4-7,12,15H,8-11H2,1-3H3,(H,20,25)/t15-/m0/s1
InChIKeySQFDNSOFPLYLHO-HNNXBMFYSA-N
XLogP2.21
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97121063
(3S)-N-(2-ethylsulfonylethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97156120
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018332
(3R)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018331
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312
N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46109954
5-oxo-1-(4-propan-2-ylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 131894541
(3R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97144047
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 131918137

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 95147317) is (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1nc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1.
What is the InChIKey of (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SQFDNSOFPLYLHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)14-4-6-16(7-5-14)23-11-15(10-18(23)24)19(25)20-9-8-17-21-13(3)26-22-17/h4-7,12,15H,8-11H2,1-3H3,(H,20,25)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95147317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).