N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide

C12H18N2O2 — CID 19589872

IUPACN-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)16-14-11(8)12(15)13-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,15)
InChIKeyBQMUJYLCQLIAAC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.35
Rot. Bonds2

About N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 19589872) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID19589872
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)16-14-11(8)12(15)13-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,15)
InChIKeyBQMUJYLCQLIAAC-UHFFFAOYSA-N
XLogP2.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3245435
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307938
N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864741
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071
N-(2-Cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methylisoxazole-3-carboxamide
CID 118511049
(Z)-N-(2-Cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-5-(3,3-dimethylbut-1-en-1-yl)-4-methylisoxazole-3-carboxamide
CID 118511121
(E)-N-(2-Cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-5-(3,3-dimethylbut-1-en-1-yl)-4-methylisoxazole-3-carboxamide
CID 118511123
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-
CID 33024
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
CID 2225132
N-cyclohexyl-5-isopropyl-4-nitroisoxazole-3-carboxamide
CID 16188049

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 19589872) is N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is BQMUJYLCQLIAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-9(2)16-14-11(8)12(15)13-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19589872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).