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

C24H33N3O6 — CID 23907301

IUPAC5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cc(C(=O)NCC(C)C)no2)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C24H33N3O6/c1-15(2)13-25-23(28)19-12-18(33-26-19)14-27(17-8-6-7-9-17)24(29)16-10-20(30-3)22(32-5)21(11-16)31-4/h10-12,15,17H,6-9,13-14H2,1-5H3,(H,25,28)
InChIKeyGEWYNPCWYDYHIM-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.67
Rot. Bonds10

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

5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 23907301) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID23907301
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Name5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cc(C(=O)NCC(C)C)no2)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C24H33N3O6/c1-15(2)13-25-23(28)19-12-18(33-26-19)14-27(17-8-6-7-9-17)24(29)16-10-20(30-3)22(32-5)21(11-16)31-4/h10-12,15,17H,6-9,13-14H2,1-5H3,(H,25,28)
InChIKeyGEWYNPCWYDYHIM-UHFFFAOYSA-N
XLogP3.67
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 23907301) is 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1cc(C(=O)N(Cc2cc(C(=O)NCC(C)C)no2)C2CCCC2)cc(OC)c1OC.
What is the InChIKey of 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GEWYNPCWYDYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-15(2)13-25-23(28)19-12-18(33-26-19)14-27(17-8-6-7-9-17)24(29)16-10-20(30-3)22(32-5)21(11-16)31-4/h10-12,15,17H,6-9,13-14H2,1-5H3,(H,25,28).
What are the key properties of 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23907301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).