1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide

C16H17N3O3 — CID 51077333

IUPAC1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC2C(=O)Nc2ccccc2)on1
InChIInChI=1S/C16H17N3O3/c1-11-10-14(22-18-11)16(21)19-9-5-8-13(19)15(20)17-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,17,20)
InChIKeyMVDQQUUGLBIWHI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.23
Rot. Bonds3

About 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide

1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 51077333) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID51077333
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC2C(=O)Nc2ccccc2)on1
InChIInChI=1S/C16H17N3O3/c1-11-10-14(22-18-11)16(21)19-9-5-8-13(19)15(20)17-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,17,20)
InChIKeyMVDQQUUGLBIWHI-UHFFFAOYSA-N
XLogP2.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 30890128
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284825
(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 57457627
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide (CID 51077333) is 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide is Cc1cc(C(=O)N2CCCC2C(=O)Nc2ccccc2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is MVDQQUUGLBIWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-10-14(22-18-11)16(21)19-9-5-8-13(19)15(20)17-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,17,20).
What are the key properties of 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide?
1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51077333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).