7-bromo-1,2-benzoxazol-5-ol

C7H4BrNO2 — CID 83669491

IUPAC7-bromo-1,2-benzoxazol-5-ol
SMILESOc1cc(Br)c2oncc2c1
InChIInChI=1S/C7H4BrNO2/c8-6-2-5(10)1-4-3-9-11-7(4)6/h1-3,10H
InChIKeyDEYDZGZTDGOPEF-UHFFFAOYSA-N
MW214.02 g/mol
LogP2.30
Rot. Bonds

About 7-bromo-1,2-benzoxazol-5-ol

7-bromo-1,2-benzoxazol-5-ol (PubChem CID 83669491) has the molecular formula C7H4BrNO2 and a molecular weight of 214.02 g/mol. Its IUPAC name is 7-bromo-1,2-benzoxazol-5-ol.

Molecular Properties

Compound Name7-bromo-1,2-benzoxazol-5-ol
PubChem CID83669491
Molecular FormulaC7H4BrNO2
Molecular Weight214.02 g/mol
Exact Mass212.94
IUPAC Name7-bromo-1,2-benzoxazol-5-ol
SMILESOc1cc(Br)c2oncc2c1
InChIInChI=1S/C7H4BrNO2/c8-6-2-5(10)1-4-3-9-11-7(4)6/h1-3,10H
InChIKeyDEYDZGZTDGOPEF-UHFFFAOYSA-N
XLogP2.30
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2-benzoxazol-5-ol?
The IUPAC name of 7-bromo-1,2-benzoxazol-5-ol (CID 83669491) is 7-bromo-1,2-benzoxazol-5-ol.
What is the SMILES notation for 7-bromo-1,2-benzoxazol-5-ol?
The canonical SMILES for 7-bromo-1,2-benzoxazol-5-ol is Oc1cc(Br)c2oncc2c1.
What is the InChIKey of 7-bromo-1,2-benzoxazol-5-ol?
The InChIKey is DEYDZGZTDGOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO2/c8-6-2-5(10)1-4-3-9-11-7(4)6/h1-3,10H.
What are the key properties of 7-bromo-1,2-benzoxazol-5-ol?
7-bromo-1,2-benzoxazol-5-ol has a molecular weight of 214.02 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2-benzoxazol-5-ol is sourced from PubChem (CID 83669491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).