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

C7H5ClN2O — CID 10855900

IUPAC6-chloro-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(Cl)ccc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKeyVUMFEESWELAKKV-UHFFFAOYSA-N
MW168.58 g/mol
LogP2.06
Rot. Bonds

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

6-chloro-1,2-benzoxazol-3-amine (PubChem CID 10855900) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 6-chloro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-chloro-1,2-benzoxazol-3-amine
PubChem CID10855900
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name6-chloro-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(Cl)ccc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKeyVUMFEESWELAKKV-UHFFFAOYSA-N
XLogP2.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-benzoxazol-3-amine?
The IUPAC name of 6-chloro-1,2-benzoxazol-3-amine (CID 10855900) is 6-chloro-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-chloro-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-chloro-1,2-benzoxazol-3-amine is Nc1noc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1,2-benzoxazol-3-amine?
The InChIKey is VUMFEESWELAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10).
What are the key properties of 6-chloro-1,2-benzoxazol-3-amine?
6-chloro-1,2-benzoxazol-3-amine has a molecular weight of 168.58 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 10855900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).