4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C15H11BrN2O2 — CID 63844567

IUPAC4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccccc3Br)no2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-13-4-2-1-3-12(13)15-17-14(20-18-15)9-10-5-7-11(19)8-6-10/h1-8,19H,9H2
InChIKeyXAVLFNWXAPQYSL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.80
Rot. Bonds3

About 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 63844567) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID63844567
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccccc3Br)no2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-13-4-2-1-3-12(13)15-17-14(20-18-15)9-10-5-7-11(19)8-6-10/h1-8,19H,9H2
InChIKeyXAVLFNWXAPQYSL-UHFFFAOYSA-N
XLogP3.80
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 55202022
4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 114878987
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 81273431
4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845942
4-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889527
3-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile
CID 106524282
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65199728
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-(2-bromophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773373

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 63844567) is 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccc(Cc2nc(-c3ccccc3Br)no2)cc1.
What is the InChIKey of 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is XAVLFNWXAPQYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-13-4-2-1-3-12(13)15-17-14(20-18-15)9-10-5-7-11(19)8-6-10/h1-8,19H,9H2.
What are the key properties of 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 331.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 63844567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).