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

C26H35N3O5 — CID 42766369

IUPACN-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2nc(C(=O)NC3CCCCC3)co2)C2CCCCC2)c1
InChIInChI=1S/C26H35N3O5/c1-32-21-13-18(14-22(15-21)33-2)26(31)29(20-11-7-4-8-12-20)16-24-28-23(17-34-24)25(30)27-19-9-5-3-6-10-19/h13-15,17,19-20H,3-12,16H2,1-2H3,(H,27,30)
InChIKeyPPQLVPCYBCRXTF-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.73
Rot. Bonds8

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

N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42766369) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42766369
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC NameN-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2nc(C(=O)NC3CCCCC3)co2)C2CCCCC2)c1
InChIInChI=1S/C26H35N3O5/c1-32-21-13-18(14-22(15-21)33-2)26(31)29(20-11-7-4-8-12-20)16-24-28-23(17-34-24)25(30)27-19-9-5-3-6-10-19/h13-15,17,19-20H,3-12,16H2,1-2H3,(H,27,30)
InChIKeyPPQLVPCYBCRXTF-UHFFFAOYSA-N
XLogP4.73
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 810603
2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 1195797
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4281802
2-[[[(2R)-butan-2-yl]-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 93157924
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
2-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 1195816
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclohexylamino]methyl]-1,3-oxazole-4-carboxylate
CID 42766600

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 42766369) is N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide is COc1cc(OC)cc(C(=O)N(Cc2nc(C(=O)NC3CCCCC3)co2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PPQLVPCYBCRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-32-21-13-18(14-22(15-21)33-2)26(31)29(20-11-7-4-8-12-20)16-24-28-23(17-34-24)25(30)27-19-9-5-3-6-10-19/h13-15,17,19-20H,3-12,16H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 469.58 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).