3-(2-bromophenyl)-1,2-benzoxazol-6-ol

C13H8BrNO2 — CID 136705364

IUPAC3-(2-bromophenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccccc3Br)noc2c1
InChIInChI=1S/C13H8BrNO2/c14-11-4-2-1-3-9(11)13-10-6-5-8(16)7-12(10)17-15-13/h1-7,16H
InChIKeyBRNXXWMUMIRXIJ-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.96
Rot. Bonds1

About 3-(2-bromophenyl)-1,2-benzoxazol-6-ol

3-(2-bromophenyl)-1,2-benzoxazol-6-ol (PubChem CID 136705364) has the molecular formula C13H8BrNO2 and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,2-benzoxazol-6-ol
PubChem CID136705364
Molecular FormulaC13H8BrNO2
Molecular Weight290.12 g/mol
Exact Mass288.97
IUPAC Name3-(2-bromophenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccccc3Br)noc2c1
InChIInChI=1S/C13H8BrNO2/c14-11-4-2-1-3-9(11)13-10-6-5-8(16)7-12(10)17-15-13/h1-7,16H
InChIKeyBRNXXWMUMIRXIJ-UHFFFAOYSA-N
XLogP3.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
CID 5287551
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-(2-bromophenyl)-3-fluorophenol
CID 83129875
3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol
CID 135524469
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol
CID 135657543
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(1,2-benzoxazol-3-yl)-5-bromopyridine-2-sulfonamide
CID 164768982
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
3-(2-methylphenyl)-2,1-benzoxazol-6-ol
CID 136699555

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(2-bromophenyl)-1,2-benzoxazol-6-ol (CID 136705364) is 3-(2-bromophenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(2-bromophenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(2-bromophenyl)-1,2-benzoxazol-6-ol is Oc1ccc2c(-c3ccccc3Br)noc2c1.
What is the InChIKey of 3-(2-bromophenyl)-1,2-benzoxazol-6-ol?
The InChIKey is BRNXXWMUMIRXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2/c14-11-4-2-1-3-9(11)13-10-6-5-8(16)7-12(10)17-15-13/h1-7,16H.
What are the key properties of 3-(2-bromophenyl)-1,2-benzoxazol-6-ol?
3-(2-bromophenyl)-1,2-benzoxazol-6-ol has a molecular weight of 290.12 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 136705364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).