5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C22H21N3O3 — CID 3232269

IUPAC5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-8-10-16(11-9-15)20-19(23-14-28-20)21(26)24-18-7-3-2-6-17(18)22(27)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,24,26)
InChIKeyZBSNWYHZOXCUJB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.14
Rot. Bonds4

About 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 3232269) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID3232269
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-8-10-16(11-9-15)20-19(23-14-28-20)21(26)24-18-7-3-2-6-17(18)22(27)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,24,26)
InChIKeyZBSNWYHZOXCUJB-UHFFFAOYSA-N
XLogP4.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[(1S,2R)-2-phenylcyclopropyl]-1,3-oxazole-4-carboxamide
CID 24901441
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 24901436
N-benzyl-5-{[4-(3-acetamidophenyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
CID 24901437
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 24901438
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 24901439
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 24901442
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[(2S)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 24901443
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-phenyl-1,3-oxazole-4-carboxamide
CID 24901448
N-Benzyl-4-{4-[(2,3-dihydro-1H-indol-1-YL)methyl]-5-methyl-1,3-oxazol-2-YL}-N-methylbenzamide
CID 16029477
5-(2-Fluoro-phenyl)-oxazole-4-carboxylic acid indan-5-ylamide
CID 6489702
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10309516
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
CID 22493269

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 3232269) is 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZBSNWYHZOXCUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-8-10-16(11-9-15)20-19(23-14-28-20)21(26)24-18-7-3-2-6-17(18)22(27)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,24,26).
What are the key properties of 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).