5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C15H9Cl4N3O2 — CID 91683263

IUPAC5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C15H9Cl4N3O2/c16-9-2-1-7(3-10(9)17)6-23-13-11(18)4-8(5-12(13)19)14-21-22-15(20)24-14/h1-5H,6H2,(H2,20,22)
InChIKeyASELTFRGEFOGNE-UHFFFAOYSA-N
MW405.07 g/mol
LogP5.51
Rot. Bonds4

About 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91683263) has the molecular formula C15H9Cl4N3O2 and a molecular weight of 405.07 g/mol. Its IUPAC name is 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91683263
Molecular FormulaC15H9Cl4N3O2
Molecular Weight405.07 g/mol
Exact Mass402.94
IUPAC Name5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C15H9Cl4N3O2/c16-9-2-1-7(3-10(9)17)6-23-13-11(18)4-8(5-12(13)19)14-21-22-15(20)24-14/h1-5H,6H2,(H2,20,22)
InChIKeyASELTFRGEFOGNE-UHFFFAOYSA-N
XLogP5.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.07
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686192
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686260
5-[4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91683272
5-[(E)-2-[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685463

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 91683263) is 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)o1.
What is the InChIKey of 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ASELTFRGEFOGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4N3O2/c16-9-2-1-7(3-10(9)17)6-23-13-11(18)4-8(5-12(13)19)14-21-22-15(20)24-14/h1-5H,6H2,(H2,20,22).
What are the key properties of 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 405.07 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91683263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).