N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H22N2O2 — CID 39258382

IUPACN-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,15,17)
InChIKeyGQYKDIBHTYIVTB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.99
Rot. Bonds4

About N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 39258382) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID39258382
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,15,17)
InChIKeyGQYKDIBHTYIVTB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 39258382) is N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GQYKDIBHTYIVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39258382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).