5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C27H31N3O5 — CID 23933174

IUPAC5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(CN(C(=O)c3cccc(OC)c3)C3CCCC3)on2)cc1
InChIInChI=1S/C27H31N3O5/c1-33-22-12-10-19(11-13-22)14-15-28-26(31)25-17-24(35-29-25)18-30(21-7-3-4-8-21)27(32)20-6-5-9-23(16-20)34-2/h5-6,9-13,16-17,21H,3-4,7-8,14-15,18H2,1-2H3,(H,28,31)
InChIKeyTXPXCFZPPNKPRQ-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.25
Rot. Bonds10

About 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 23933174) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID23933174
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(CN(C(=O)c3cccc(OC)c3)C3CCCC3)on2)cc1
InChIInChI=1S/C27H31N3O5/c1-33-22-12-10-19(11-13-22)14-15-28-26(31)25-17-24(35-29-25)18-30(21-7-3-4-8-21)27(32)20-6-5-9-23(16-20)34-2/h5-6,9-13,16-17,21H,3-4,7-8,14-15,18H2,1-2H3,(H,28,31)
InChIKeyTXPXCFZPPNKPRQ-UHFFFAOYSA-N
XLogP4.25
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[[cyclohexanecarbonyl(cyclopropyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23761703
N-[(4-fluorophenyl)methyl]-5-[[(3-methoxybenzoyl)-[2-(4-methoxyphenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818982
5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23741978
N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23963547
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23960033
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23768938

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 23933174) is 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(CN(C(=O)c3cccc(OC)c3)C3CCCC3)on2)cc1.
What is the InChIKey of 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is TXPXCFZPPNKPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-33-22-12-10-19(11-13-22)14-15-28-26(31)25-17-24(35-29-25)18-30(21-7-3-4-8-21)27(32)20-6-5-9-23(16-20)34-2/h5-6,9-13,16-17,21H,3-4,7-8,14-15,18H2,1-2H3,(H,28,31).
What are the key properties of 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23933174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).