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

C18H16FN3O3 — CID 91685772

IUPAC5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c1-23-15-8-4-12(5-9-17-21-22-18(20)25-17)10-16(15)24-11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H2,20,22)/b9-5+
InChIKeyXWZCLNZAPHASEB-WEVVVXLNSA-N
MW341.34 g/mol
LogP3.55
Rot. Bonds6

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

5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91685772) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91685772
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c1-23-15-8-4-12(5-9-17-21-22-18(20)25-17)10-16(15)24-11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H2,20,22)/b9-5+
InChIKeyXWZCLNZAPHASEB-WEVVVXLNSA-N
XLogP3.55
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
5-[(E)-2-[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685463
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate
CID 91685630
5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685401
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 168535028
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium
CID 23828171
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine (CID 91685772) is 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine is COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(F)cc1.
What is the InChIKey of 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XWZCLNZAPHASEB-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-23-15-8-4-12(5-9-17-21-22-18(20)25-17)10-16(15)24-11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H2,20,22)/b9-5+.
What are the key properties of 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 341.34 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91685772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).