2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol

C16H13N3O2 — CID 162662461

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1cccnc1
InChIInChI=1S/C16H13N3O2/c1-11(14(20)13-8-5-9-17-10-13)16-18-15(19-21-16)12-6-3-2-4-7-12/h2-10,14,20H,1H2
InChIKeyDIWIKSHBGLXAEL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.88
Rot. Bonds4

About 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol (PubChem CID 162662461) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol
PubChem CID162662461
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1cccnc1
InChIInChI=1S/C16H13N3O2/c1-11(14(20)13-8-5-9-17-10-13)16-18-15(19-21-16)12-6-3-2-4-7-12/h2-10,14,20H,1H2
InChIKeyDIWIKSHBGLXAEL-UHFFFAOYSA-N
XLogP2.88
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
Bas 07396695
CID 3156021
5-(3,5-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 912581
5-(3-Fluorophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
CID 1504248
3-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763864
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)pyridine
CID 1122276
5-(4-Butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2055443
4-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763852
5-(3,4-Difluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 145982040
5-Phenyl-3-pyridin-3-yl-1,2,4-oxadiazole
CID 678422
3-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763875

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol (CID 162662461) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol is C=C(c1nc(-c2ccccc2)no1)C(O)c1cccnc1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol?
The InChIKey is DIWIKSHBGLXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11(14(20)13-8-5-9-17-10-13)16-18-15(19-21-16)12-6-3-2-4-7-12/h2-10,14,20H,1H2.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol has a molecular weight of 279.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 162662461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).