N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C15H10Cl3N3O — CID 23636122

IUPACN-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1
InChIInChI=1S/C15H10Cl3N3O/c16-9-4-6-10(7-5-9)19-15-21-20-14(22-15)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2,(H,19,21)
InChIKeyGFTIYWQSVDCQOG-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.36
Rot. Bonds4

About N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23636122) has the molecular formula C15H10Cl3N3O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID23636122
Molecular FormulaC15H10Cl3N3O
Molecular Weight354.62 g/mol
Exact Mass352.99
IUPAC NameN-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1
InChIInChI=1S/C15H10Cl3N3O/c16-9-4-6-10(7-5-9)19-15-21-20-14(22-15)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2,(H,19,21)
InChIKeyGFTIYWQSVDCQOG-UHFFFAOYSA-N
XLogP5.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 23636122) is N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Clc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GFTIYWQSVDCQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O/c16-9-4-6-10(7-5-9)19-15-21-20-14(22-15)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 354.62 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23636122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).