2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile

C16H10BrN3O — CID 106523915

IUPAC2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
SMILESN#CCc1ccccc1-c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C16H10BrN3O/c17-13-7-5-12(6-8-13)15-19-16(21-20-15)14-4-2-1-3-11(14)9-10-18/h1-8H,9H2
InChIKeyLOMFDSYUJMDAMK-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.23
Rot. Bonds3

About 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile (PubChem CID 106523915) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
PubChem CID106523915
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
SMILESN#CCc1ccccc1-c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C16H10BrN3O/c17-13-7-5-12(6-8-13)15-19-16(21-20-15)14-4-2-1-3-11(14)9-10-18/h1-8H,9H2
InChIKeyLOMFDSYUJMDAMK-UHFFFAOYSA-N
XLogP4.23
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106524829
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106523914
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527278
3-(4-bromophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895320
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 16779790
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106524461
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile (CID 106523915) is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile is N#CCc1ccccc1-c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The InChIKey is LOMFDSYUJMDAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-13-7-5-12(6-8-13)15-19-16(21-20-15)14-4-2-1-3-11(14)9-10-18/h1-8H,9H2.
What are the key properties of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile has a molecular weight of 340.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile is sourced from PubChem (CID 106523915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).