5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol

C16H13N3O3 — CID 75453240

IUPAC5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol
SMILESCOc1ccc(-c2noc(/C=C/c3cncc(O)c3)n2)cc1
InChIInChI=1S/C16H13N3O3/c1-21-14-5-3-12(4-6-14)16-18-15(22-19-16)7-2-11-8-13(20)10-17-9-11/h2-10,20H,1H3/b7-2+
InChIKeyBPSWYWQOICSQII-FARCUNLSSA-N
MW295.30 g/mol
LogP3.02
Rot. Bonds4

About 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol

5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol (PubChem CID 75453240) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol
PubChem CID75453240
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol
SMILESCOc1ccc(-c2noc(/C=C/c3cncc(O)c3)n2)cc1
InChIInChI=1S/C16H13N3O3/c1-21-14-5-3-12(4-6-14)16-18-15(22-19-16)7-2-11-8-13(20)10-17-9-11/h2-10,20H,1H3/b7-2+
InChIKeyBPSWYWQOICSQII-FARCUNLSSA-N
XLogP3.02
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethenyl]pyridin-3-ol
CID 91941700
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
CID 167991639
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 136533700
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326343
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921074
3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
CID 19326193
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol?
The IUPAC name of 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol (CID 75453240) is 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol.
What is the SMILES notation for 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol?
The canonical SMILES for 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol is COc1ccc(-c2noc(/C=C/c3cncc(O)c3)n2)cc1.
What is the InChIKey of 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol?
The InChIKey is BPSWYWQOICSQII-FARCUNLSSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-14-5-3-12(4-6-14)16-18-15(22-19-16)7-2-11-8-13(20)10-17-9-11/h2-10,20H,1H3/b7-2+.
What are the key properties of 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol?
5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol has a molecular weight of 295.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol is sourced from PubChem (CID 75453240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).