N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C14H22N2O2 — CID 17249430

IUPACN-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-12-13(10(2)18-16-12)14(17)15-9-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H,15,17)
InChIKeyLURRRWMKRVPSPF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.86
Rot. Bonds4

About N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17249430) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17249430
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-12-13(10(2)18-16-12)14(17)15-9-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H,15,17)
InChIKeyLURRRWMKRVPSPF-UHFFFAOYSA-N
XLogP2.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.86
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
(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,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3360516
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163169

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17249430) is N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LURRRWMKRVPSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-13(10(2)18-16-12)14(17)15-9-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17249430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).