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

C17H12F2N2O2 — CID 162671338

IUPAC1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H12F2N2O2/c1-10(15(22)12-7-13(18)9-14(19)8-12)17-20-16(21-23-17)11-5-3-2-4-6-11/h2-9,15,22H,1H2
InChIKeyXCXFFUBBFUHOLW-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.76
Rot. Bonds4

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

1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol (PubChem CID 162671338) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
PubChem CID162671338
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H12F2N2O2/c1-10(15(22)12-7-13(18)9-14(19)8-12)17-20-16(21-23-17)11-5-3-2-4-6-11/h2-9,15,22H,1H2
InChIKeyXCXFFUBBFUHOLW-UHFFFAOYSA-N
XLogP3.76
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol (CID 162671338) is 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol is C=C(c1nc(-c2ccccc2)no1)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The InChIKey is XCXFFUBBFUHOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-10(15(22)12-7-13(18)9-14(19)8-12)17-20-16(21-23-17)11-5-3-2-4-6-11/h2-9,15,22H,1H2.
What are the key properties of 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol has a molecular weight of 314.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 162671338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).