N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide

C24H17ClN4O3 — CID 86957972

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide
SMILESN#Cc1ccccc1OCc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C24H17ClN4O3/c25-20-10-8-17(9-11-20)23-28-22(32-29-23)14-27-24(30)18-6-3-4-16(12-18)15-31-21-7-2-1-5-19(21)13-26/h1-12H,14-15H2,(H,27,30)
InChIKeyBWEJYHMBQFTERL-UHFFFAOYSA-N
MW444.88 g/mol
LogP4.77
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide (PubChem CID 86957972) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide
PubChem CID86957972
Molecular FormulaC24H17ClN4O3
Molecular Weight444.88 g/mol
Exact Mass444.10
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide
SMILESN#Cc1ccccc1OCc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C24H17ClN4O3/c25-20-10-8-17(9-11-20)23-28-22(32-29-23)14-27-24(30)18-6-3-4-16(12-18)15-31-21-7-2-1-5-19(21)13-26/h1-12H,14-15H2,(H,27,30)
InChIKeyBWEJYHMBQFTERL-UHFFFAOYSA-N
XLogP4.77
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide 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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
CID 8836688
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
CID 114324027
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8521617
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86957953
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 36506760
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide (CID 86957972) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide is N#Cc1ccccc1OCc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide?
The InChIKey is BWEJYHMBQFTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c25-20-10-8-17(9-11-20)23-28-22(32-29-23)14-27-24(30)18-6-3-4-16(12-18)15-31-21-7-2-1-5-19(21)13-26/h1-12H,14-15H2,(H,27,30).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide has a molecular weight of 444.88 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide is sourced from PubChem (CID 86957972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).