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

C17H12Cl3N3O2 — CID 91685448

IUPAC5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)o1
InChIInChI=1S/C17H12Cl3N3O2/c18-12-4-3-11(13(19)8-12)9-24-15-5-1-10(7-14(15)20)2-6-16-22-23-17(21)25-16/h1-8H,9H2,(H2,21,23)/b6-2+
InChIKeyRUHFKDNYRZEHCW-QHHAFSJGSA-N
MW396.66 g/mol
LogP5.36
Rot. Bonds5

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

5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91685448) has the molecular formula C17H12Cl3N3O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91685448
Molecular FormulaC17H12Cl3N3O2
Molecular Weight396.66 g/mol
Exact Mass395.00
IUPAC Name5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)o1
InChIInChI=1S/C17H12Cl3N3O2/c18-12-4-3-11(13(19)8-12)9-24-15-5-1-10(7-14(15)20)2-6-16-22-23-17(21)25-16/h1-8H,9H2,(H2,21,23)/b6-2+
InChIKeyRUHFKDNYRZEHCW-QHHAFSJGSA-N
XLogP5.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685447
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685450
5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685401
5-[(E)-2-[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685463
ethyl (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684776
5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685772
2-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-benzoxazole
CID 6183544
3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
CID 12526908
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91684795
(NZ)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]hydroxylamine
CID 91681877

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine (CID 91685448) is 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)o1.
What is the InChIKey of 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RUHFKDNYRZEHCW-QHHAFSJGSA-N. The full InChI is InChI=1S/C17H12Cl3N3O2/c18-12-4-3-11(13(19)8-12)9-24-15-5-1-10(7-14(15)20)2-6-16-22-23-17(21)25-16/h1-8H,9H2,(H2,21,23)/b6-2+.
What are the key properties of 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 396.66 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91685448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).