2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole

C14H9BrN2O — CID 142719990

IUPAC2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
SMILESBrc1cc(-c2ccccc2)cc(-c2nnco2)c1
InChIInChI=1S/C14H9BrN2O/c15-13-7-11(10-4-2-1-3-5-10)6-12(8-13)14-17-16-9-18-14/h1-9H
InChIKeyOUWUHRCDUXFHIT-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.17
Rot. Bonds2

About 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole

2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 142719990) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
PubChem CID142719990
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
SMILESBrc1cc(-c2ccccc2)cc(-c2nnco2)c1
InChIInChI=1S/C14H9BrN2O/c15-13-7-11(10-4-2-1-3-5-10)6-12(8-13)14-17-16-9-18-14/h1-9H
InChIKeyOUWUHRCDUXFHIT-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dibromo-5-phenylbenzene
CID 3014933
3,4-bis[4-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 102339138
2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 118464988
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2-(4-bromo-3-iodophenyl)-1,3,4-oxadiazole
CID 171373723
methanimidoyl 3-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzenecarboximidate
CID 163768871
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 22354178
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole (CID 142719990) is 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole is Brc1cc(-c2ccccc2)cc(-c2nnco2)c1.
What is the InChIKey of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is OUWUHRCDUXFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-13-7-11(10-4-2-1-3-5-10)6-12(8-13)14-17-16-9-18-14/h1-9H.
What are the key properties of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 301.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 142719990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).