5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C14H10FN3O2 — CID 63845407

IUPAC5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCc1cc(-c2noc(-c3cncc(O)c3)n2)ccc1F
InChIInChI=1S/C14H10FN3O2/c1-8-4-9(2-3-12(8)15)13-17-14(20-18-13)10-5-11(19)7-16-6-10/h2-7,19H,1H3
InChIKeyMXHXTRVQCRSGLN-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.95
Rot. Bonds2

About 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 63845407) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID63845407
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCc1cc(-c2noc(-c3cncc(O)c3)n2)ccc1F
InChIInChI=1S/C14H10FN3O2/c1-8-4-9(2-3-12(8)15)13-17-14(20-18-13)10-5-11(19)7-16-6-10/h2-7,19H,1H3
InChIKeyMXHXTRVQCRSGLN-UHFFFAOYSA-N
XLogP2.95
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 63845407) is 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Cc1cc(-c2noc(-c3cncc(O)c3)n2)ccc1F.
What is the InChIKey of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is MXHXTRVQCRSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-8-4-9(2-3-12(8)15)13-17-14(20-18-13)10-5-11(19)7-16-6-10/h2-7,19H,1H3.
What are the key properties of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 271.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 63845407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).