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

C12H10N2O — CID 91827362

IUPAC5-methylbenzo[g][1,3]benzoxazol-2-amine
SMILESCc1cc2nc(N)oc2c2ccccc12
InChIInChI=1S/C12H10N2O/c1-7-6-10-11(15-12(13)14-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChIKeyJEGUERWMMMQFJV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.87
Rot. Bonds

About 5-methylbenzo[g][1,3]benzoxazol-2-amine

5-methylbenzo[g][1,3]benzoxazol-2-amine (PubChem CID 91827362) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-methylbenzo[g][1,3]benzoxazol-2-amine.

Molecular Properties

Compound Name5-methylbenzo[g][1,3]benzoxazol-2-amine
PubChem CID91827362
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name5-methylbenzo[g][1,3]benzoxazol-2-amine
SMILESCc1cc2nc(N)oc2c2ccccc12
InChIInChI=1S/C12H10N2O/c1-7-6-10-11(15-12(13)14-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChIKeyJEGUERWMMMQFJV-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 5-methylbenzo[g][1,3]benzoxazol-2-amine?
The IUPAC name of 5-methylbenzo[g][1,3]benzoxazol-2-amine (CID 91827362) is 5-methylbenzo[g][1,3]benzoxazol-2-amine.
What is the SMILES notation for 5-methylbenzo[g][1,3]benzoxazol-2-amine?
The canonical SMILES for 5-methylbenzo[g][1,3]benzoxazol-2-amine is Cc1cc2nc(N)oc2c2ccccc12.
What is the InChIKey of 5-methylbenzo[g][1,3]benzoxazol-2-amine?
The InChIKey is JEGUERWMMMQFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-6-10-11(15-12(13)14-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-methylbenzo[g][1,3]benzoxazol-2-amine?
5-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 5-methylbenzo[g][1,3]benzoxazol-2-amine is sourced from PubChem (CID 91827362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).