N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

C23H26N4O3 — CID 23770266

IUPACN-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(CCc2ccccc2)C(=O)c2cccnc2)on1
InChIInChI=1S/C23H26N4O3/c1-17(2)14-25-22(28)21-13-20(30-26-21)16-27(12-10-18-7-4-3-5-8-18)23(29)19-9-6-11-24-15-19/h3-9,11,13,15,17H,10,12,14,16H2,1-2H3,(H,25,28)
InChIKeyWZMGPAQTIJYUTC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.34
Rot. Bonds9

About N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23770266) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23770266
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(CCc2ccccc2)C(=O)c2cccnc2)on1
InChIInChI=1S/C23H26N4O3/c1-17(2)14-25-22(28)21-13-20(30-26-21)16-27(12-10-18-7-4-3-5-8-18)23(29)19-9-6-11-24-15-19/h3-9,11,13,15,17H,10,12,14,16H2,1-2H3,(H,25,28)
InChIKeyWZMGPAQTIJYUTC-UHFFFAOYSA-N
XLogP3.34
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]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

5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23963547
5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23904943
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818720
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
N-[(4-fluorophenyl)methyl]-5-[[(3-methoxybenzoyl)-[2-(4-methoxyphenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818982
5-[[1,3-benzodioxole-5-carbonyl(2-phenylethyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23885444
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
methyl 2-[3-[benzyl(pyridine-3-carbonyl)amino]propylsulfonylamino]-3-methylbutanoate
CID 70875492

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23770266) is N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(CN(CCc2ccccc2)C(=O)c2cccnc2)on1.
What is the InChIKey of N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WZMGPAQTIJYUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17(2)14-25-22(28)21-13-20(30-26-21)16-27(12-10-18-7-4-3-5-8-18)23(29)19-9-6-11-24-15-19/h3-9,11,13,15,17H,10,12,14,16H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23770266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).