N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide

C17H28N2O2 — CID 167912655

IUPACN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide
SMILESCc1c(NC(=O)C2CCCC(C)(C)C2)noc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-11-13(16(2,3)4)21-19-14(11)18-15(20)12-8-7-9-17(5,6)10-12/h12H,7-10H2,1-6H3,(H,18,19,20)
InChIKeyWXQQIMMOIQXKTO-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.44
Rot. Bonds2

About N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide

N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide (PubChem CID 167912655) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide
PubChem CID167912655
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide
SMILESCc1c(NC(=O)C2CCCC(C)(C)C2)noc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-11-13(16(2,3)4)21-19-14(11)18-15(20)12-8-7-9-17(5,6)10-12/h12H,7-10H2,1-6H3,(H,18,19,20)
InChIKeyWXQQIMMOIQXKTO-UHFFFAOYSA-N
XLogP4.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide (CID 167912655) is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide is Cc1c(NC(=O)C2CCCC(C)(C)C2)noc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is WXQQIMMOIQXKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11-13(16(2,3)4)21-19-14(11)18-15(20)12-8-7-9-17(5,6)10-12/h12H,7-10H2,1-6H3,(H,18,19,20).
What are the key properties of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide?
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 167912655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).