3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one

C18H10F2N4O3 — CID 146591742

IUPAC3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccc(F)cc2)n1/C=C\c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H10F2N4O3/c19-13-5-1-11(2-6-13)16-21-15(26-22-16)9-10-24-17(23-27-18(24)25)12-3-7-14(20)8-4-12/h1-10H/b10-9-
InChIKeyDXXVHEZAJFMIQI-KTKRTIGZSA-N
MW368.30 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one

3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one (PubChem CID 146591742) has the molecular formula C18H10F2N4O3 and a molecular weight of 368.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one
PubChem CID146591742
Molecular FormulaC18H10F2N4O3
Molecular Weight368.30 g/mol
Exact Mass368.07
IUPAC Name3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccc(F)cc2)n1/C=C\c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H10F2N4O3/c19-13-5-1-11(2-6-13)16-21-15(26-22-16)9-10-24-17(23-27-18(24)25)12-3-7-14(20)8-4-12/h1-10H/b10-9-
InChIKeyDXXVHEZAJFMIQI-KTKRTIGZSA-N
XLogP3.46
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one (CID 146591742) is 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccc(F)cc2)n1/C=C\c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one?
The InChIKey is DXXVHEZAJFMIQI-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H10F2N4O3/c19-13-5-1-11(2-6-13)16-21-15(26-22-16)9-10-24-17(23-27-18(24)25)12-3-7-14(20)8-4-12/h1-10H/b10-9-.
What are the key properties of 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one?
3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one has a molecular weight of 368.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146591742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).