N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C24H34N2O3 — CID 71305023

IUPACN-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC1CCC(N(C(=O)c2cc(-c3ccco3)on2)C2CCC(C)(C)CC2)CC1C
InChIInChI=1S/C24H34N2O3/c1-16-7-8-19(14-17(16)2)26(18-9-11-24(3,4)12-10-18)23(27)20-15-22(29-25-20)21-6-5-13-28-21/h5-6,13,15-19H,7-12,14H2,1-4H3
InChIKeyLPMHCLCOGVBEOX-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.17
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71305023) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71305023
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC1CCC(N(C(=O)c2cc(-c3ccco3)on2)C2CCC(C)(C)CC2)CC1C
InChIInChI=1S/C24H34N2O3/c1-16-7-8-19(14-17(16)2)26(18-9-11-24(3,4)12-10-18)23(27)20-15-22(29-25-20)21-6-5-13-28-21/h5-6,13,15-19H,7-12,14H2,1-4H3
InChIKeyLPMHCLCOGVBEOX-UHFFFAOYSA-N
XLogP6.17
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-5-(furan-2-yl)-N-(3-propan-2-ylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 70702275
2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119202136
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-cyclopropyl-5-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 94026173
5-(furan-2-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-3-carboxamide
CID 98785750
N,N-dicyclohexyl-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 57339499
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 90502780
2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 134020416
5-(furan-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796090
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 71305023) is N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC1CCC(N(C(=O)c2cc(-c3ccco3)on2)C2CCC(C)(C)CC2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LPMHCLCOGVBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-16-7-8-19(14-17(16)2)26(18-9-11-24(3,4)12-10-18)23(27)20-15-22(29-25-20)21-6-5-13-28-21/h5-6,13,15-19H,7-12,14H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71305023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).