4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol

C10H6BrN5O2 — CID 136885778

IUPAC4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C10H6BrN5O2/c11-5-1-2-8(17)6(3-5)10-13-9(15-18-10)7-4-12-16-14-7/h1-4,17H,(H,12,14,16)
InChIKeyVCJMLVAOEHBYBC-UHFFFAOYSA-N
MW308.10 g/mol
LogP1.99
Rot. Bonds2

About 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol

4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136885778) has the molecular formula C10H6BrN5O2 and a molecular weight of 308.10 g/mol. Its IUPAC name is 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136885778
Molecular FormulaC10H6BrN5O2
Molecular Weight308.10 g/mol
Exact Mass306.97
IUPAC Name4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C10H6BrN5O2/c11-5-1-2-8(17)6(3-5)10-13-9(15-18-10)7-4-12-16-14-7/h1-4,17H,(H,12,14,16)
InChIKeyVCJMLVAOEHBYBC-UHFFFAOYSA-N
XLogP1.99
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904488
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830916
4-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706857
4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
CID 135429377
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
4-bromo-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701102
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
CID 135429409
2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136715489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136885778) is 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Br)cc1-c1nc(-c2cn[nH]n2)no1.
What is the InChIKey of 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is VCJMLVAOEHBYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5O2/c11-5-1-2-8(17)6(3-5)10-13-9(15-18-10)7-4-12-16-14-7/h1-4,17H,(H,12,14,16).
What are the key properties of 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 308.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136885778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).