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

C8H7ClN2O — CID 11275404

IUPAC5-chloro-2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C8H7ClN2O/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3
InChIKeyVZICVFYCZDSEFK-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.37
Rot. Bonds

About 5-chloro-2-methyl-1,3-benzoxazol-6-amine

5-chloro-2-methyl-1,3-benzoxazol-6-amine (PubChem CID 11275404) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-methyl-1,3-benzoxazol-6-amine
PubChem CID11275404
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name5-chloro-2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C8H7ClN2O/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3
InChIKeyVZICVFYCZDSEFK-UHFFFAOYSA-N
XLogP2.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.37
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 5-chloro-2-methyl-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-methyl-1,3-benzoxazol-6-amine (CID 11275404) is 5-chloro-2-methyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-methyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-methyl-1,3-benzoxazol-6-amine is Cc1nc2cc(Cl)c(N)cc2o1.
What is the InChIKey of 5-chloro-2-methyl-1,3-benzoxazol-6-amine?
The InChIKey is VZICVFYCZDSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3.
What are the key properties of 5-chloro-2-methyl-1,3-benzoxazol-6-amine?
5-chloro-2-methyl-1,3-benzoxazol-6-amine has a molecular weight of 182.61 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 11275404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).