3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide

C15H24N2O2 — CID 136512560

IUPAC3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCC(C)(C)CC1C
InChIInChI=1S/C15H24N2O2/c1-9-8-15(4,5)7-6-12(9)16-14(18)13-10(2)17-19-11(13)3/h9,12H,6-8H2,1-5H3,(H,16,18)
InChIKeyGADXUHKRXSEKQV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds2

About 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide (PubChem CID 136512560) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide
PubChem CID136512560
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCC(C)(C)CC1C
InChIInChI=1S/C15H24N2O2/c1-9-8-15(4,5)7-6-12(9)16-14(18)13-10(2)17-19-11(13)3/h9,12H,6-8H2,1-5H3,(H,16,18)
InChIKeyGADXUHKRXSEKQV-UHFFFAOYSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide (CID 136512560) is 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCC(C)(C)CC1C.
What is the InChIKey of 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide?
The InChIKey is GADXUHKRXSEKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9-8-15(4,5)7-6-12(9)16-14(18)13-10(2)17-19-11(13)3/h9,12H,6-8H2,1-5H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136512560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).