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

C15H11BrN2O2 — CID 155569508

IUPAC4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1ccccc1-c1nnc(-c2cc(Br)ccc2O)o1
InChIInChI=1S/C15H11BrN2O2/c1-9-4-2-3-5-11(9)14-17-18-15(20-14)12-8-10(16)6-7-13(12)19/h2-8,19H,1H3
InChIKeyLTGDNZFRJGRHSQ-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.18
Rot. Bonds2

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

4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 155569508) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID155569508
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1ccccc1-c1nnc(-c2cc(Br)ccc2O)o1
InChIInChI=1S/C15H11BrN2O2/c1-9-4-2-3-5-11(9)14-17-18-15(20-14)12-8-10(16)6-7-13(12)19/h2-8,19H,1H3
InChIKeyLTGDNZFRJGRHSQ-UHFFFAOYSA-N
XLogP4.18
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 155569508) is 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol is Cc1ccccc1-c1nnc(-c2cc(Br)ccc2O)o1.
What is the InChIKey of 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is LTGDNZFRJGRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-4-2-3-5-11(9)14-17-18-15(20-14)12-8-10(16)6-7-13(12)19/h2-8,19H,1H3.
What are the key properties of 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 331.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 155569508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).