5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide

C26H28ClN3O3 — CID 23934866

IUPAC5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(CN(Cc2ccccc2)C(=O)C2CCCCC2)on1
InChIInChI=1S/C26H28ClN3O3/c27-22-13-7-10-20(14-22)16-28-25(31)24-15-23(33-29-24)18-30(17-19-8-3-1-4-9-19)26(32)21-11-5-2-6-12-21/h1,3-4,7-10,13-15,21H,2,5-6,11-12,16-18H2,(H,28,31)
InChIKeyFTUSHQJARYSTJU-UHFFFAOYSA-N
MW465.98 g/mol
LogP5.37
Rot. Bonds8

About 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23934866) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23934866
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(CN(Cc2ccccc2)C(=O)C2CCCCC2)on1
InChIInChI=1S/C26H28ClN3O3/c27-22-13-7-10-20(14-22)16-28-25(31)24-15-23(33-29-24)18-30(17-19-8-3-1-4-9-19)26(32)21-11-5-2-6-12-21/h1,3-4,7-10,13-15,21H,2,5-6,11-12,16-18H2,(H,28,31)
InChIKeyFTUSHQJARYSTJU-UHFFFAOYSA-N
XLogP5.37
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23736232
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide
CID 23825298
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23906085
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965402
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(3-methylbutanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23935975
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3954335
5-[[cyclopentanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23938870

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23934866) is 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(CN(Cc2ccccc2)C(=O)C2CCCCC2)on1.
What is the InChIKey of 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FTUSHQJARYSTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c27-22-13-7-10-20(14-22)16-28-25(31)24-15-23(33-29-24)18-30(17-19-8-3-1-4-9-19)26(32)21-11-5-2-6-12-21/h1,3-4,7-10,13-15,21H,2,5-6,11-12,16-18H2,(H,28,31).
What are the key properties of 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 465.98 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23934866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).