3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one

C17H15N3O3 — CID 135002246

IUPAC3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccnc2)nn1C(/C=C/c1ccccc1)CO
InChIInChI=1S/C17H15N3O3/c21-12-15(9-8-13-5-2-1-3-6-13)20-17(22)23-16(19-20)14-7-4-10-18-11-14/h1-11,15,21H,12H2/b9-8+
InChIKeyRLJABUYMKKHOLR-CMDGGOBGSA-N
MW309.33 g/mol
LogP2.15
Rot. Bonds5

About 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one

3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one (PubChem CID 135002246) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
PubChem CID135002246
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccnc2)nn1C(/C=C/c1ccccc1)CO
InChIInChI=1S/C17H15N3O3/c21-12-15(9-8-13-5-2-1-3-6-13)20-17(22)23-16(19-20)14-7-4-10-18-11-14/h1-11,15,21H,12H2/b9-8+
InChIKeyRLJABUYMKKHOLR-CMDGGOBGSA-N
XLogP2.15
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one (CID 135002246) is 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccnc2)nn1C(/C=C/c1ccccc1)CO.
What is the InChIKey of 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
The InChIKey is RLJABUYMKKHOLR-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-12-15(9-8-13-5-2-1-3-6-13)20-17(22)23-16(19-20)14-7-4-10-18-11-14/h1-11,15,21H,12H2/b9-8+.
What are the key properties of 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one?
3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one has a molecular weight of 309.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 135002246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).