7-chloro-1,2-benzoxazol-4-ol

C7H4ClNO2 — CID 136743881

IUPAC7-chloro-1,2-benzoxazol-4-ol
SMILESOc1ccc(Cl)c2oncc12
InChIInChI=1S/C7H4ClNO2/c8-5-1-2-6(10)4-3-9-11-7(4)5/h1-3,10H
InChIKeyJXTKNCHDRHYCKL-UHFFFAOYSA-N
MW169.57 g/mol
LogP2.19
Rot. Bonds

About 7-chloro-1,2-benzoxazol-4-ol

7-chloro-1,2-benzoxazol-4-ol (PubChem CID 136743881) has the molecular formula C7H4ClNO2 and a molecular weight of 169.57 g/mol. Its IUPAC name is 7-chloro-1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name7-chloro-1,2-benzoxazol-4-ol
PubChem CID136743881
Molecular FormulaC7H4ClNO2
Molecular Weight169.57 g/mol
Exact Mass168.99
IUPAC Name7-chloro-1,2-benzoxazol-4-ol
SMILESOc1ccc(Cl)c2oncc12
InChIInChI=1S/C7H4ClNO2/c8-5-1-2-6(10)4-3-9-11-7(4)5/h1-3,10H
InChIKeyJXTKNCHDRHYCKL-UHFFFAOYSA-N
XLogP2.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-benzoxazol-4-ol?
The IUPAC name of 7-chloro-1,2-benzoxazol-4-ol (CID 136743881) is 7-chloro-1,2-benzoxazol-4-ol.
What is the SMILES notation for 7-chloro-1,2-benzoxazol-4-ol?
The canonical SMILES for 7-chloro-1,2-benzoxazol-4-ol is Oc1ccc(Cl)c2oncc12.
What is the InChIKey of 7-chloro-1,2-benzoxazol-4-ol?
The InChIKey is JXTKNCHDRHYCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2/c8-5-1-2-6(10)4-3-9-11-7(4)5/h1-3,10H.
What are the key properties of 7-chloro-1,2-benzoxazol-4-ol?
7-chloro-1,2-benzoxazol-4-ol has a molecular weight of 169.57 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-benzoxazol-4-ol is sourced from PubChem (CID 136743881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).