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

C16H26N2O2 — CID 6464598

IUPACN-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-10-14(11(2)20-18-10)15(19)17-13-9-7-6-8-12(13)16(3,4)5/h12-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyWDTUBYVTOTWKOA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.63
Rot. Bonds2

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

N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 6464598) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID6464598
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-10-14(11(2)20-18-10)15(19)17-13-9-7-6-8-12(13)16(3,4)5/h12-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyWDTUBYVTOTWKOA-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 6464598) is N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WDTUBYVTOTWKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10-14(11(2)20-18-10)15(19)17-13-9-7-6-8-12(13)16(3,4)5/h12-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 6464598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).