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

C12H6ClN5O2 — CID 155067944

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile
SMILESN#CC(C#N)=NOCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H6ClN5O2/c13-9-3-1-8(2-4-9)12-17-16-11(20-12)7-19-18-10(5-14)6-15/h1-4H,7H2
InChIKeyABVIKUPWFRQPLM-UHFFFAOYSA-N
MW287.67 g/mol
LogP2.31
Rot. Bonds4

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile (PubChem CID 155067944) has the molecular formula C12H6ClN5O2 and a molecular weight of 287.67 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile
PubChem CID155067944
Molecular FormulaC12H6ClN5O2
Molecular Weight287.67 g/mol
Exact Mass287.02
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile
SMILESN#CC(C#N)=NOCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H6ClN5O2/c13-9-3-1-8(2-4-9)12-17-16-11(20-12)7-19-18-10(5-14)6-15/h1-4H,7H2
InChIKeyABVIKUPWFRQPLM-UHFFFAOYSA-N
XLogP2.31
TPSA108.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxyimino]propanedinitrile
CID 155067987
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 7702211
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
N'-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-chlorobenzenecarboximidamide
CID 43013401
2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
CID 176515688
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
CID 16528018
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 9139620
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55480931
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile (CID 155067944) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile is N#CC(C#N)=NOCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile?
The InChIKey is ABVIKUPWFRQPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN5O2/c13-9-3-1-8(2-4-9)12-17-16-11(20-12)7-19-18-10(5-14)6-15/h1-4H,7H2.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile has a molecular weight of 287.67 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile is sourced from PubChem (CID 155067944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).