5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C22H24N4O3 — CID 23798416

IUPAC5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(Cc2ccncc2)C(=O)c2ccccc2)on1
InChIInChI=1S/C22H24N4O3/c1-16(2)13-24-21(27)20-12-19(29-25-20)15-26(14-17-8-10-23-11-9-17)22(28)18-6-4-3-5-7-18/h3-12,16H,13-15H2,1-2H3,(H,24,27)
InChIKeyNODAJNLZYVWXAF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.30
Rot. Bonds8

About 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 23798416) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID23798416
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(CN(Cc2ccncc2)C(=O)c2ccccc2)on1
InChIInChI=1S/C22H24N4O3/c1-16(2)13-24-21(27)20-12-19(29-25-20)15-26(14-17-8-10-23-11-9-17)22(28)18-6-4-3-5-7-18/h3-12,16H,13-15H2,1-2H3,(H,24,27)
InChIKeyNODAJNLZYVWXAF-UHFFFAOYSA-N
XLogP3.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23770266
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
5-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23735039
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(3-methylbutanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23935975
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965402
2-[[benzoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195929
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023

Frequently Asked Questions

What is the IUPAC name of 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 23798416) is 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(CN(Cc2ccncc2)C(=O)c2ccccc2)on1.
What is the InChIKey of 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NODAJNLZYVWXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16(2)13-24-21(27)20-12-19(29-25-20)15-26(14-17-8-10-23-11-9-17)22(28)18-6-4-3-5-7-18/h3-12,16H,13-15H2,1-2H3,(H,24,27).
What are the key properties of 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23798416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).