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

C24H33N3O5 — CID 23960033

IUPAC5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2cc(C(=O)NCC(C)C)no2)C2CCCCC2)cc1OC
InChIInChI=1S/C24H33N3O5/c1-16(2)14-25-23(28)20-13-19(32-26-20)15-27(18-8-6-5-7-9-18)24(29)17-10-11-21(30-3)22(12-17)31-4/h10-13,16,18H,5-9,14-15H2,1-4H3,(H,25,28)
InChIKeyWSOYEPUSWIBQJP-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.05
Rot. Bonds9

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

5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 23960033) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID23960033
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2cc(C(=O)NCC(C)C)no2)C2CCCCC2)cc1OC
InChIInChI=1S/C24H33N3O5/c1-16(2)14-25-23(28)20-13-19(32-26-20)15-27(18-8-6-5-7-9-18)24(29)17-10-11-21(30-3)22(12-17)31-4/h10-13,16,18H,5-9,14-15H2,1-4H3,(H,25,28)
InChIKeyWSOYEPUSWIBQJP-UHFFFAOYSA-N
XLogP4.05
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23907301
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
5-[(cyclohexylamino)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23732152
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23933174
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23876360
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23940608
5-[[cyclohexanecarbonyl(cyclopropyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23761703
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 23960033) is 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1ccc(C(=O)N(Cc2cc(C(=O)NCC(C)C)no2)C2CCCCC2)cc1OC.
What is the InChIKey of 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WSOYEPUSWIBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-16(2)14-25-23(28)20-13-19(32-26-20)15-27(18-8-6-5-7-9-18)24(29)17-10-11-21(30-3)22(12-17)31-4/h10-13,16,18H,5-9,14-15H2,1-4H3,(H,25,28).
What are the key properties of 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23960033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).