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

C13H20N2O2 — CID 3040078

IUPAC2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1nc(C2CCCCC2)oc1C
InChIInChI=1S/C13H20N2O2/c1-3-14-12(16)11-9(2)17-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyYIUOIROMOSKMIG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.78
Rot. Bonds3

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

2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 3040078) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID3040078
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1nc(C2CCCCC2)oc1C
InChIInChI=1S/C13H20N2O2/c1-3-14-12(16)11-9(2)17-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyYIUOIROMOSKMIG-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide (CID 3040078) is 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide is CCNC(=O)c1nc(C2CCCCC2)oc1C.
What is the InChIKey of 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YIUOIROMOSKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-14-12(16)11-9(2)17-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide?
2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3040078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).