5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

C27H31N3O3 — CID 23906085

IUPAC5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(CN(C(=O)CCc3ccccc3)C3CCCC3)on2)cc1
InChIInChI=1S/C27H31N3O3/c1-20-11-13-22(14-12-20)18-28-27(32)25-17-24(33-29-25)19-30(23-9-5-6-10-23)26(31)16-15-21-7-3-2-4-8-21/h2-4,7-8,11-14,17,23H,5-6,9-10,15-16,18-19H2,1H3,(H,28,32)
InChIKeyHAGIWEFUYZSAKY-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.82
Rot. Bonds9

About 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23906085) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23906085
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(CN(C(=O)CCc3ccccc3)C3CCCC3)on2)cc1
InChIInChI=1S/C27H31N3O3/c1-20-11-13-22(14-12-20)18-28-27(32)25-17-24(33-29-25)19-30(23-9-5-6-10-23)26(31)16-15-21-7-3-2-4-8-21/h2-4,7-8,11-14,17,23H,5-6,9-10,15-16,18-19H2,1H3,(H,28,32)
InChIKeyHAGIWEFUYZSAKY-UHFFFAOYSA-N
XLogP4.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23936297
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23736208
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23852883
5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23934866
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23933174
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23906085) is 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(CN(C(=O)CCc3ccccc3)C3CCCC3)on2)cc1.
What is the InChIKey of 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HAGIWEFUYZSAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-20-11-13-22(14-12-20)18-28-27(32)25-17-24(33-29-25)19-30(23-9-5-6-10-23)26(31)16-15-21-7-3-2-4-8-21/h2-4,7-8,11-14,17,23H,5-6,9-10,15-16,18-19H2,1H3,(H,28,32).
What are the key properties of 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23906085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).