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

C8H8N2O — CID 45079000

IUPAC6-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2nc(N)oc2c1
InChIInChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKeyHIZUIPJBTXPNHO-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.72
Rot. Bonds

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

6-methyl-1,3-benzoxazol-2-amine (PubChem CID 45079000) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-methyl-1,3-benzoxazol-2-amine
PubChem CID45079000
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2nc(N)oc2c1
InChIInChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKeyHIZUIPJBTXPNHO-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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Related Compounds

2-amino-1,3-benzoxazole-6-thiol
CID 130877164
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
CID 64528494
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 43470450
4-amino-2-methyl-6-(6-methyl-1,3-benzoxazol-2-yl)phenol
CID 2978413
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
(2-amino-1,3-benzoxazol-6-yl) thiocyanate
CID 151351062
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
methyl 2-(2-amino-1,3-benzoxazol-6-yl)-2-methylpropanoate
CID 156541091

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 6-methyl-1,3-benzoxazol-2-amine (CID 45079000) is 6-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-methyl-1,3-benzoxazol-2-amine is Cc1ccc2nc(N)oc2c1.
What is the InChIKey of 6-methyl-1,3-benzoxazol-2-amine?
The InChIKey is HIZUIPJBTXPNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 6-methyl-1,3-benzoxazol-2-amine?
6-methyl-1,3-benzoxazol-2-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 6-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45079000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).