5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide

C26H29N3O4 — CID 53110120

IUPAC5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCC(C)CC4)no3)cc2)c1
InChIInChI=1S/C26H29N3O4/c1-17-6-8-20(9-7-17)28-26(31)24-15-23(33-29-24)16-32-22-12-10-21(11-13-22)27-25(30)19-5-3-4-18(2)14-19/h3-5,10-15,17,20H,6-9,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXOHTTXVGVSTNPH-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.12
Rot. Bonds7

About 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide

5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110120) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID53110120
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCC(C)CC4)no3)cc2)c1
InChIInChI=1S/C26H29N3O4/c1-17-6-8-20(9-7-17)28-26(31)24-15-23(33-29-24)16-32-22-12-10-21(11-13-22)27-25(30)19-5-3-4-18(2)14-19/h3-5,10-15,17,20H,6-9,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXOHTTXVGVSTNPH-UHFFFAOYSA-N
XLogP5.12
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
5-[[4-[(3-chlorobenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110297
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide (CID 53110120) is 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide is Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCC(C)CC4)no3)cc2)c1.
What is the InChIKey of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XOHTTXVGVSTNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-6-8-20(9-7-17)28-26(31)24-15-23(33-29-24)16-32-22-12-10-21(11-13-22)27-25(30)19-5-3-4-18(2)14-19/h3-5,10-15,17,20H,6-9,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).