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

C15H9Cl4N3O — CID 23636126

IUPACN-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1Cl
InChIInChI=1S/C15H9Cl4N3O/c16-10-2-1-3-11(17)9(10)7-14-21-22-15(23-14)20-8-4-5-12(18)13(19)6-8/h1-6H,7H2,(H,20,22)
InChIKeyFTMGJVPCFLISCA-UHFFFAOYSA-N
MW389.07 g/mol
LogP6.02
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23636126) has the molecular formula C15H9Cl4N3O and a molecular weight of 389.07 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID23636126
Molecular FormulaC15H9Cl4N3O
Molecular Weight389.07 g/mol
Exact Mass386.95
IUPAC NameN-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1Cl
InChIInChI=1S/C15H9Cl4N3O/c16-10-2-1-3-11(17)9(10)7-14-21-22-15(23-14)20-8-4-5-12(18)13(19)6-8/h1-6H,7H2,(H,20,22)
InChIKeyFTMGJVPCFLISCA-UHFFFAOYSA-N
XLogP6.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.07
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 23636126) is N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Clc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FTMGJVPCFLISCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4N3O/c16-10-2-1-3-11(17)9(10)7-14-21-22-15(23-14)20-8-4-5-12(18)13(19)6-8/h1-6H,7H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 389.07 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23636126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).