N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide

C13H20N2O2 — CID 3243071

IUPACN-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCCC2)no1
InChIInChI=1S/C13H20N2O2/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyROSZFDQYFYLYFY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.86
Rot. Bonds3

About N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3243071) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3243071
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCCC2)no1
InChIInChI=1S/C13H20N2O2/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyROSZFDQYFYLYFY-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3243071) is N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCCCC2)no1.
What is the InChIKey of N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ROSZFDQYFYLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).