2-methyl-1,3-benzoxazol-6-amine

C8H8N2O — CID 590539

IUPAC2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(N)cc2o1
InChIInChI=1S/C8H8N2O/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3
InChIKeyNNHTUFOCRUBQCF-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.72
Rot. Bonds

About 2-methyl-1,3-benzoxazol-6-amine

2-methyl-1,3-benzoxazol-6-amine (PubChem CID 590539) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazol-6-amine
PubChem CID590539
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(N)cc2o1
InChIInChI=1S/C8H8N2O/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3
InChIKeyNNHTUFOCRUBQCF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methyl-1,3-benzoxazol-6-amine (CID 590539) is 2-methyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methyl-1,3-benzoxazol-6-amine is Cc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-methyl-1,3-benzoxazol-6-amine?
The InChIKey is NNHTUFOCRUBQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3.
What are the key properties of 2-methyl-1,3-benzoxazol-6-amine?
2-methyl-1,3-benzoxazol-6-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 2-methyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 590539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).