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

C17H13Cl2N3O2 — CID 91685450

IUPAC5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-5-4-12(15(19)9-13)10-23-14-6-1-11(2-7-14)3-8-16-21-22-17(20)24-16/h1-9H,10H2,(H2,20,22)/b8-3+
InChIKeyBNDLISMTDQTYBY-FPYGCLRLSA-N
MW362.22 g/mol
LogP4.71
Rot. Bonds5

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

5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91685450) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91685450
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-5-4-12(15(19)9-13)10-23-14-6-1-11(2-7-14)3-8-16-21-22-17(20)24-16/h1-9H,10H2,(H2,20,22)/b8-3+
InChIKeyBNDLISMTDQTYBY-FPYGCLRLSA-N
XLogP4.71
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685448
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685447
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 872664
(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 1472262
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334376
5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686268
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine (CID 91685450) is 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1.
What is the InChIKey of 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BNDLISMTDQTYBY-FPYGCLRLSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-5-4-12(15(19)9-13)10-23-14-6-1-11(2-7-14)3-8-16-21-22-17(20)24-16/h1-9H,10H2,(H2,20,22)/b8-3+.
What are the key properties of 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 362.22 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91685450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).