5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C26H31N3O4 — CID 23936297

IUPAC5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)N(Cc1cc(C(=O)NCc2ccc(OC)cc2)no1)C(=O)CCc1ccccc1
InChIInChI=1S/C26H31N3O4/c1-4-19(2)29(25(30)15-12-20-8-6-5-7-9-20)18-23-16-24(28-33-23)26(31)27-17-21-10-13-22(32-3)14-11-21/h5-11,13-14,16,19H,4,12,15,17-18H2,1-3H3,(H,27,31)
InChIKeyXASDFNUAKPVEER-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.37
Rot. Bonds11

About 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23936297) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23936297
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)N(Cc1cc(C(=O)NCc2ccc(OC)cc2)no1)C(=O)CCc1ccccc1
InChIInChI=1S/C26H31N3O4/c1-4-19(2)29(25(30)15-12-20-8-6-5-7-9-20)18-23-16-24(28-33-23)26(31)27-17-21-10-13-22(32-3)14-11-21/h5-11,13-14,16,19H,4,12,15,17-18H2,1-3H3,(H,27,31)
InChIKeyXASDFNUAKPVEER-UHFFFAOYSA-N
XLogP4.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23996073
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methoxyphenyl)ethyl-(3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23989425
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23906085
5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23741978
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 46949508
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
N-[(4-fluorophenyl)methyl]-5-[[(3-methoxybenzoyl)-[2-(4-methoxyphenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818982
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632

Frequently Asked Questions

What is the IUPAC name of 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23936297) is 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is CCC(C)N(Cc1cc(C(=O)NCc2ccc(OC)cc2)no1)C(=O)CCc1ccccc1.
What is the InChIKey of 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XASDFNUAKPVEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-4-19(2)29(25(30)15-12-20-8-6-5-7-9-20)18-23-16-24(28-33-23)26(31)27-17-21-10-13-22(32-3)14-11-21/h5-11,13-14,16,19H,4,12,15,17-18H2,1-3H3,(H,27,31).
What are the key properties of 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23936297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).