5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C14H11N3O3 — CID 107707047

IUPAC5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCc1ccncc1-c1noc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C14H11N3O3/c1-8-2-3-15-7-12(8)13-16-14(20-17-13)9-4-10(18)6-11(19)5-9/h2-7,18-19H,1H3
InChIKeyMXBTULJARRIBQY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.52
Rot. Bonds2

About 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 107707047) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID107707047
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCc1ccncc1-c1noc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C14H11N3O3/c1-8-2-3-15-7-12(8)13-16-14(20-17-13)9-4-10(18)6-11(19)5-9/h2-7,18-19H,1H3
InChIKeyMXBTULJARRIBQY-UHFFFAOYSA-N
XLogP2.52
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 107707047) is 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Cc1ccncc1-c1noc(-c2cc(O)cc(O)c2)n1.
What is the InChIKey of 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is MXBTULJARRIBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-2-3-15-7-12(8)13-16-14(20-17-13)9-4-10(18)6-11(19)5-9/h2-7,18-19H,1H3.
What are the key properties of 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 269.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 107707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).