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

C10H6ClN3O — CID 16779790

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESN#CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H6ClN3O/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)15-14-10/h1-4H,5H2
InChIKeyFOUWWUSEDQMMPW-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.46
Rot. Bonds2

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

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile (PubChem CID 16779790) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
PubChem CID16779790
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESN#CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H6ClN3O/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)15-14-10/h1-4H,5H2
InChIKeyFOUWWUSEDQMMPW-UHFFFAOYSA-N
XLogP2.46
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106523544
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526372
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106524461
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524709
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile (CID 16779790) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile is N#CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The InChIKey is FOUWWUSEDQMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)15-14-10/h1-4H,5H2.
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile has a molecular weight of 219.63 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile is sourced from PubChem (CID 16779790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).