(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C21H20N4O3 — CID 162668964

IUPAC(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-10-5-6-11-17(16)22-21(27)25-13-7-12-18(25)20-23-19(24-28-20)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-13H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeyBJDSRFCQRNEPOL-SFHVURJKSA-N
MW376.42 g/mol
LogP4.31
Rot. Bonds4

About (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 162668964) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID162668964
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-10-5-6-11-17(16)22-21(27)25-13-7-12-18(25)20-23-19(24-28-20)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-13H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeyBJDSRFCQRNEPOL-SFHVURJKSA-N
XLogP4.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7416330
(2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116608
(2R)-N-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7415297
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 162676057
(2R)-N-(2-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 93049749
N-(2-chlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206213
N-(2,3-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4261812
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 162666113
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 7295387
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 4283064
N-(2,4-dimethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 4665590

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 162668964) is (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is CC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is BJDSRFCQRNEPOL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)16-10-5-6-11-17(16)22-21(27)25-13-7-12-18(25)20-23-19(24-28-20)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-13H2,1H3,(H,22,27)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162668964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).