5-chloro-7-methyl-1,3-benzoxazol-2-amine

C8H7ClN2O — CID 62368889

IUPAC5-chloro-7-methyl-1,3-benzoxazol-2-amine
SMILESCc1cc(Cl)cc2nc(N)oc12
InChIInChI=1S/C8H7ClN2O/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyGJFBSBJBPSHPJC-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.37
Rot. Bonds

About 5-chloro-7-methyl-1,3-benzoxazol-2-amine

5-chloro-7-methyl-1,3-benzoxazol-2-amine (PubChem CID 62368889) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-7-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-7-methyl-1,3-benzoxazol-2-amine
PubChem CID62368889
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name5-chloro-7-methyl-1,3-benzoxazol-2-amine
SMILESCc1cc(Cl)cc2nc(N)oc12
InChIInChI=1S/C8H7ClN2O/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyGJFBSBJBPSHPJC-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-7-methyl-1,3-benzoxazol-2-amine (CID 62368889) is 5-chloro-7-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-7-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-7-methyl-1,3-benzoxazol-2-amine is Cc1cc(Cl)cc2nc(N)oc12.
What is the InChIKey of 5-chloro-7-methyl-1,3-benzoxazol-2-amine?
The InChIKey is GJFBSBJBPSHPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 5-chloro-7-methyl-1,3-benzoxazol-2-amine?
5-chloro-7-methyl-1,3-benzoxazol-2-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-7-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62368889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).