(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide

C22H24N4O3 — CID 30890128

IUPAC(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)c2C)no1
InChIInChI=1S/C22H24N4O3/c1-14-12-18(16(3)26(14)20-13-15(2)29-24-20)22(28)25-11-7-10-19(25)21(27)23-17-8-5-4-6-9-17/h4-6,8-9,12-13,19H,7,10-11H2,1-3H3,(H,23,27)/t19-/m0/s1
InChIKeyJHKARSGKDIRYLI-IBGZPJMESA-N
MW392.46 g/mol
LogP3.63
Rot. Bonds4

About (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide

(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 30890128) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID30890128
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)c2C)no1
InChIInChI=1S/C22H24N4O3/c1-14-12-18(16(3)26(14)20-13-15(2)29-24-20)22(28)25-11-7-10-19(25)21(27)23-17-8-5-4-6-9-17/h4-6,8-9,12-13,19H,7,10-11H2,1-3H3,(H,23,27)/t19-/m0/s1
InChIKeyJHKARSGKDIRYLI-IBGZPJMESA-N
XLogP3.63
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 51077333
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650194
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490318
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284825
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524713
(2S)-1-(2,4-dichlorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110284831

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide (CID 30890128) is (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide is Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)c2C)no1.
What is the InChIKey of (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is JHKARSGKDIRYLI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-12-18(16(3)26(14)20-13-15(2)29-24-20)22(28)25-11-7-10-19(25)21(27)23-17-8-5-4-6-9-17/h4-6,8-9,12-13,19H,7,10-11H2,1-3H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 30890128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).