4-cyclohexyl-1,2-oxazol-3-amine

C9H14N2O — CID 105422665

IUPAC4-cyclohexyl-1,2-oxazol-3-amine
SMILESNc1nocc1C1CCCCC1
InChIInChI=1S/C9H14N2O/c10-9-8(6-12-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,10,11)
InChIKeyXUSIYLJBIBDAMM-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.30
Rot. Bonds1

About 4-cyclohexyl-1,2-oxazol-3-amine

4-cyclohexyl-1,2-oxazol-3-amine (PubChem CID 105422665) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-cyclohexyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-cyclohexyl-1,2-oxazol-3-amine
PubChem CID105422665
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-cyclohexyl-1,2-oxazol-3-amine
SMILESNc1nocc1C1CCCCC1
InChIInChI=1S/C9H14N2O/c10-9-8(6-12-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,10,11)
InChIKeyXUSIYLJBIBDAMM-UHFFFAOYSA-N
XLogP2.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,2-oxazol-3-amine?
The IUPAC name of 4-cyclohexyl-1,2-oxazol-3-amine (CID 105422665) is 4-cyclohexyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-cyclohexyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-cyclohexyl-1,2-oxazol-3-amine is Nc1nocc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1,2-oxazol-3-amine?
The InChIKey is XUSIYLJBIBDAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9-8(6-12-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,10,11).
What are the key properties of 4-cyclohexyl-1,2-oxazol-3-amine?
4-cyclohexyl-1,2-oxazol-3-amine has a molecular weight of 166.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2-oxazol-3-amine is sourced from PubChem (CID 105422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).