N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C13H20N2O2 — CID 17173813

IUPACN-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-3-11-12(9(2)17-15-11)13(16)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyXLUAWYATTVWDHT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.61
Rot. Bonds3

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

N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17173813) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17173813
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-3-11-12(9(2)17-15-11)13(16)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyXLUAWYATTVWDHT-UHFFFAOYSA-N
XLogP2.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 2225201
N-[1-(1-adamantyl)butyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 2970212
3,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-4-isoxazolecarboxamide
CID 2970406
(2,6-Dimethylmorpholin-4-yl)(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 3245328
3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 3650912
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563148
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17173813) is N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XLUAWYATTVWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11-12(9(2)17-15-11)13(16)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17173813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).