7-methyl-1,2-benzoxazol-3-amine

C8H8N2O — CID 69098325

IUPAC7-methyl-1,2-benzoxazol-3-amine
SMILESCc1cccc2c(N)noc12
InChIInChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3,(H2,9,10)
InChIKeyHSNPIDUOHGWFIO-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.72
Rot. Bonds

About 7-methyl-1,2-benzoxazol-3-amine

7-methyl-1,2-benzoxazol-3-amine (PubChem CID 69098325) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 7-methyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-methyl-1,2-benzoxazol-3-amine
PubChem CID69098325
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name7-methyl-1,2-benzoxazol-3-amine
SMILESCc1cccc2c(N)noc12
InChIInChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3,(H2,9,10)
InChIKeyHSNPIDUOHGWFIO-UHFFFAOYSA-N
XLogP1.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2-benzoxazol-3-amine?
The IUPAC name of 7-methyl-1,2-benzoxazol-3-amine (CID 69098325) is 7-methyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-methyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-methyl-1,2-benzoxazol-3-amine is Cc1cccc2c(N)noc12.
What is the InChIKey of 7-methyl-1,2-benzoxazol-3-amine?
The InChIKey is HSNPIDUOHGWFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3,(H2,9,10).
What are the key properties of 7-methyl-1,2-benzoxazol-3-amine?
7-methyl-1,2-benzoxazol-3-amine has a molecular weight of 148.16 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 69098325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).