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

C25H27N3O4 — CID 53110035

IUPACN-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCC4)no3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-17-7-9-18(10-8-17)24(29)26-20-11-13-21(14-12-20)31-16-22-15-23(28-32-22)25(30)27-19-5-3-2-4-6-19/h7-15,19H,2-6,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyQZSUTNFIADYYDL-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.88
Rot. Bonds7

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

N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 53110035) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID53110035
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCC4)no3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-17-7-9-18(10-8-17)24(29)26-20-11-13-21(14-12-20)31-16-22-15-23(28-32-22)25(30)27-19-5-3-2-4-6-19/h7-15,19H,2-6,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyQZSUTNFIADYYDL-UHFFFAOYSA-N
XLogP4.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 53110120
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 53110035) is N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCC4)no3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QZSUTNFIADYYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17-7-9-18(10-8-17)24(29)26-20-11-13-21(14-12-20)31-16-22-15-23(28-32-22)25(30)27-19-5-3-2-4-6-19/h7-15,19H,2-6,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).