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

C15H13BrN2O2 — CID 3997018

IUPAC4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1C1=NC(c2cc(Br)ccc2O)ON1
InChIInChI=1S/C15H13BrN2O2/c1-9-4-2-3-5-11(9)14-17-15(20-18-14)12-8-10(16)6-7-13(12)19/h2-8,15,19H,1H3,(H,17,18)
InChIKeyDMBASUHOFDIBNE-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.44
Rot. Bonds2

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

4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 3997018) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
PubChem CID3997018
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1C1=NC(c2cc(Br)ccc2O)ON1
InChIInChI=1S/C15H13BrN2O2/c1-9-4-2-3-5-11(9)14-17-15(20-18-14)12-8-10(16)6-7-13(12)19/h2-8,15,19H,1H3,(H,17,18)
InChIKeyDMBASUHOFDIBNE-UHFFFAOYSA-N
XLogP3.44
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dibromo-6-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 4784482
N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide
CID 143984531
4-bromo-2-[(5S)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 2357381
4-bromo-2-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 2357382
4-bromo-2-[(5S)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 2554789
4-bromo-2-[(5R)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 2554792
4-Bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 4883369
2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 7986775
2,4-dibromo-6-[(5S)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
CID 7986776
4-bromo-2-{(E)-[(2-methylbenzyl)imino]methyl}phenol
CID 135629579
5-bromo-2-hydroxy-N'-propylbenzenecarboximidamide
CID 137144897
5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide
CID 137224819

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (CID 3997018) is 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is Cc1ccccc1C1=NC(c2cc(Br)ccc2O)ON1.
What is the InChIKey of 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DMBASUHOFDIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-9-4-2-3-5-11(9)14-17-15(20-18-14)12-8-10(16)6-7-13(12)19/h2-8,15,19H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 333.19 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 3997018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).