4,7-dimethyl-1,3-benzoxazol-5-amine

C9H10N2O — CID 82229632

IUPAC4,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc(C)c2ocnc12
InChIInChI=1S/C9H10N2O/c1-5-3-7(10)6(2)8-9(5)12-4-11-8/h3-4H,10H2,1-2H3
InChIKeyUYKFOKGEEBXQLX-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.03
Rot. Bonds

About 4,7-dimethyl-1,3-benzoxazol-5-amine

4,7-dimethyl-1,3-benzoxazol-5-amine (PubChem CID 82229632) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4,7-dimethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name4,7-dimethyl-1,3-benzoxazol-5-amine
PubChem CID82229632
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc(C)c2ocnc12
InChIInChI=1S/C9H10N2O/c1-5-3-7(10)6(2)8-9(5)12-4-11-8/h3-4H,10H2,1-2H3
InChIKeyUYKFOKGEEBXQLX-UHFFFAOYSA-N
XLogP2.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.03
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 4,7-dimethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 4,7-dimethyl-1,3-benzoxazol-5-amine (CID 82229632) is 4,7-dimethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 4,7-dimethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 4,7-dimethyl-1,3-benzoxazol-5-amine is Cc1c(N)cc(C)c2ocnc12.
What is the InChIKey of 4,7-dimethyl-1,3-benzoxazol-5-amine?
The InChIKey is UYKFOKGEEBXQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-3-7(10)6(2)8-9(5)12-4-11-8/h3-4H,10H2,1-2H3.
What are the key properties of 4,7-dimethyl-1,3-benzoxazol-5-amine?
4,7-dimethyl-1,3-benzoxazol-5-amine has a molecular weight of 162.19 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82229632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).