4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine

C10H14N2O — CID 13352200

IUPAC4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1C1=CCCCC1
InChIInChI=1S/C10H14N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h5H,2-4,6,11H2,1H3
InChIKeyHSGVZNCMBXGDTD-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.52
Rot. Bonds1

About 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine

4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine (PubChem CID 13352200) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine
PubChem CID13352200
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1C1=CCCCC1
InChIInChI=1S/C10H14N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h5H,2-4,6,11H2,1H3
InChIKeyHSGVZNCMBXGDTD-UHFFFAOYSA-N
XLogP2.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine (CID 13352200) is 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine is Cc1noc(N)c1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine?
The InChIKey is HSGVZNCMBXGDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h5H,2-4,6,11H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine?
4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine has a molecular weight of 178.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 13352200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).