2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile

C21H17N3O2 — CID 146230062

IUPAC2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2)no1
InChIInChI=1S/C21H17N3O2/c22-14-16-9-4-5-10-17(16)20-13-18(23-26-20)21(25)24-12-6-11-19(24)15-7-2-1-3-8-15/h1-5,7-10,13,19H,6,11-12H2/t19-/m0/s1
InChIKeyPFVDDLPWWMCBRC-IBGZPJMESA-N
MW343.39 g/mol
LogP4.19
Rot. Bonds3

About 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile

2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile (PubChem CID 146230062) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile
PubChem CID146230062
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2)no1
InChIInChI=1S/C21H17N3O2/c22-14-16-9-4-5-10-17(16)20-13-18(23-26-20)21(25)24-12-6-11-19(24)15-7-2-1-3-8-15/h1-5,7-10,13,19H,6,11-12H2/t19-/m0/s1
InChIKeyPFVDDLPWWMCBRC-IBGZPJMESA-N
XLogP4.19
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]benzonitrile
CID 146230063
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856197
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51856413
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893801

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile?
The IUPAC name of 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile (CID 146230062) is 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile.
What is the SMILES notation for 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile?
The canonical SMILES for 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile is N#Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2)no1.
What is the InChIKey of 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile?
The InChIKey is PFVDDLPWWMCBRC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N3O2/c22-14-16-9-4-5-10-17(16)20-13-18(23-26-20)21(25)24-12-6-11-19(24)15-7-2-1-3-8-15/h1-5,7-10,13,19H,6,11-12H2/t19-/m0/s1.
What are the key properties of 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile?
2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile has a molecular weight of 343.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 146230062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).