4-methylbenzo[g][1,3]benzoxazol-2-amine

C12H10N2O — CID 126618076

IUPAC4-methylbenzo[g][1,3]benzoxazol-2-amine
SMILESCc1cc2ccccc2c2oc(N)nc12
InChIInChI=1S/C12H10N2O/c1-7-6-8-4-2-3-5-9(8)11-10(7)14-12(13)15-11/h2-6H,1H3,(H2,13,14)
InChIKeyBHYJEANGATYZEU-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.87
Rot. Bonds

About 4-methylbenzo[g][1,3]benzoxazol-2-amine

4-methylbenzo[g][1,3]benzoxazol-2-amine (PubChem CID 126618076) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-methylbenzo[g][1,3]benzoxazol-2-amine.

Molecular Properties

Compound Name4-methylbenzo[g][1,3]benzoxazol-2-amine
PubChem CID126618076
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-methylbenzo[g][1,3]benzoxazol-2-amine
SMILESCc1cc2ccccc2c2oc(N)nc12
InChIInChI=1S/C12H10N2O/c1-7-6-8-4-2-3-5-9(8)11-10(7)14-12(13)15-11/h2-6H,1H3,(H2,13,14)
InChIKeyBHYJEANGATYZEU-UHFFFAOYSA-N
XLogP2.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzo[g][1,3]benzoxazol-2-amine?
The IUPAC name of 4-methylbenzo[g][1,3]benzoxazol-2-amine (CID 126618076) is 4-methylbenzo[g][1,3]benzoxazol-2-amine.
What is the SMILES notation for 4-methylbenzo[g][1,3]benzoxazol-2-amine?
The canonical SMILES for 4-methylbenzo[g][1,3]benzoxazol-2-amine is Cc1cc2ccccc2c2oc(N)nc12.
What is the InChIKey of 4-methylbenzo[g][1,3]benzoxazol-2-amine?
The InChIKey is BHYJEANGATYZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-6-8-4-2-3-5-9(8)11-10(7)14-12(13)15-11/h2-6H,1H3,(H2,13,14).
What are the key properties of 4-methylbenzo[g][1,3]benzoxazol-2-amine?
4-methylbenzo[g][1,3]benzoxazol-2-amine has a molecular weight of 198.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[g][1,3]benzoxazol-2-amine is sourced from PubChem (CID 126618076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).