2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole

C15H11BrN2O2 — CID 18859382

IUPAC2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-12-6-8-13(9-7-12)19-10-14-17-18-15(20-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyXWINWBKFULKESY-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.08
Rot. Bonds4

About 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 18859382) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID18859382
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-12-6-8-13(9-7-12)19-10-14-17-18-15(20-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyXWINWBKFULKESY-UHFFFAOYSA-N
XLogP4.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656038
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(phenoxymethyl)benzoate
CID 16520769
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-[3-[(4-bromophenoxy)methyl]phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 19542318
2-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]-5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole
CID 155968817
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
2-[(4-bromophenoxy)methyl]-5-(1-methoxyethyl)-1,3,4-oxadiazole
CID 136530291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (CID 18859382) is 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is Brc1ccc(OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XWINWBKFULKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-12-6-8-13(9-7-12)19-10-14-17-18-15(20-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 331.17 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 18859382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).