5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine

C13H22N2O — CID 66197863

IUPAC5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-9(2)8-11-12(16-15-13(11)14)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15)
InChIKeyYCPWPFNQGSOFQJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.50
Rot. Bonds3

About 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66197863) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66197863
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-9(2)8-11-12(16-15-13(11)14)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15)
InChIKeyYCPWPFNQGSOFQJ-UHFFFAOYSA-N
XLogP3.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66197863) is 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)Cc1c(N)noc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is YCPWPFNQGSOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)8-11-12(16-15-13(11)14)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 222.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).