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

C8H9ClN2O — CID 122164057

IUPAC3-methyl-1,2-benzoxazol-6-amine;hydrochloride
SMILESCc1noc2cc(N)ccc12.Cl
InChIInChI=1S/C8H8N2O.ClH/c1-5-7-3-2-6(9)4-8(7)11-10-5;/h2-4H,9H2,1H3;1H
InChIKeyFTJOTEJOBOXAJK-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.14
Rot. Bonds

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

3-methyl-1,2-benzoxazol-6-amine;hydrochloride (PubChem CID 122164057) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 3-methyl-1,2-benzoxazol-6-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,2-benzoxazol-6-amine;hydrochloride
PubChem CID122164057
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name3-methyl-1,2-benzoxazol-6-amine;hydrochloride
SMILESCc1noc2cc(N)ccc12.Cl
InChIInChI=1S/C8H8N2O.ClH/c1-5-7-3-2-6(9)4-8(7)11-10-5;/h2-4H,9H2,1H3;1H
InChIKeyFTJOTEJOBOXAJK-UHFFFAOYSA-N
XLogP2.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.14
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 3-methyl-1,2-benzoxazol-6-amine;hydrochloride?
The IUPAC name of 3-methyl-1,2-benzoxazol-6-amine;hydrochloride (CID 122164057) is 3-methyl-1,2-benzoxazol-6-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1,2-benzoxazol-6-amine;hydrochloride?
The canonical SMILES for 3-methyl-1,2-benzoxazol-6-amine;hydrochloride is Cc1noc2cc(N)ccc12.Cl.
What is the InChIKey of 3-methyl-1,2-benzoxazol-6-amine;hydrochloride?
The InChIKey is FTJOTEJOBOXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.ClH/c1-5-7-3-2-6(9)4-8(7)11-10-5;/h2-4H,9H2,1H3;1H.
What are the key properties of 3-methyl-1,2-benzoxazol-6-amine;hydrochloride?
3-methyl-1,2-benzoxazol-6-amine;hydrochloride has a molecular weight of 184.63 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-benzoxazol-6-amine;hydrochloride is sourced from PubChem (CID 122164057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).