1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol

C17H13FN2O2 — CID 162671192

IUPAC1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1cccc(F)c1
InChIInChI=1S/C17H13FN2O2/c1-11(15(21)13-8-5-9-14(18)10-13)17-19-16(20-22-17)12-6-3-2-4-7-12/h2-10,15,21H,1H2
InChIKeyOARPYUIBKXPQHR-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol

1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol (PubChem CID 162671192) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
PubChem CID162671192
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1cccc(F)c1
InChIInChI=1S/C17H13FN2O2/c1-11(15(21)13-8-5-9-14(18)10-13)17-19-16(20-22-17)12-6-3-2-4-7-12/h2-10,15,21H,1H2
InChIKeyOARPYUIBKXPQHR-UHFFFAOYSA-N
XLogP3.62
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol (CID 162671192) is 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol is C=C(c1nc(-c2ccccc2)no1)C(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The InChIKey is OARPYUIBKXPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11(15(21)13-8-5-9-14(18)10-13)17-19-16(20-22-17)12-6-3-2-4-7-12/h2-10,15,21H,1H2.
What are the key properties of 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol has a molecular weight of 296.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 162671192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).