N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C14H22N2O2 — CID 6621313

IUPACN-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CCCCC2)no1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-12-9-13(16-18-12)14(17)15-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyJWNZTTWEDKNUMN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.94
Rot. Bonds4

About N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 6621313) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID6621313
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CCCCC2)no1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-12-9-13(16-18-12)14(17)15-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyJWNZTTWEDKNUMN-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 6621313) is N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NC2CCCCC2)no1.
What is the InChIKey of N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JWNZTTWEDKNUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-12-9-13(16-18-12)14(17)15-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6621313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).