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

C16H24N2O3 — CID 136556745

IUPACN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide
SMILESCc1c(NC(=O)C2CCC(=O)C(C)C2)noc1C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-9-8-11(6-7-12(9)19)15(20)17-14-10(2)13(21-18-14)16(3,4)5/h9,11H,6-8H2,1-5H3,(H,17,18,20)
InChIKeyLPHJEEXBJCCDAE-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.22
Rot. Bonds2

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

N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide (PubChem CID 136556745) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide
PubChem CID136556745
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide
SMILESCc1c(NC(=O)C2CCC(=O)C(C)C2)noc1C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-9-8-11(6-7-12(9)19)15(20)17-14-10(2)13(21-18-14)16(3,4)5/h9,11H,6-8H2,1-5H3,(H,17,18,20)
InChIKeyLPHJEEXBJCCDAE-UHFFFAOYSA-N
XLogP3.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methyl-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide (CID 136556745) is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide is Cc1c(NC(=O)C2CCC(=O)C(C)C2)noc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide?
The InChIKey is LPHJEEXBJCCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-9-8-11(6-7-12(9)19)15(20)17-14-10(2)13(21-18-14)16(3,4)5/h9,11H,6-8H2,1-5H3,(H,17,18,20).
What are the key properties of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide?
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 136556745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).