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

C15H13N3O3 — CID 106793525

IUPAC5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCOc1cc(C)ccc1-c1noc(-c2cncc(O)c2)n1
InChIInChI=1S/C15H13N3O3/c1-9-3-4-12(13(5-9)20-2)14-17-15(21-18-14)10-6-11(19)8-16-7-10/h3-8,19H,1-2H3
InChIKeyDBNVSNHQXOPKMC-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.82
Rot. Bonds3

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

5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 106793525) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID106793525
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCOc1cc(C)ccc1-c1noc(-c2cncc(O)c2)n1
InChIInChI=1S/C15H13N3O3/c1-9-3-4-12(13(5-9)20-2)14-17-15(21-18-14)10-6-11(19)8-16-7-10/h3-8,19H,1-2H3
InChIKeyDBNVSNHQXOPKMC-UHFFFAOYSA-N
XLogP2.82
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 106793525) is 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is COc1cc(C)ccc1-c1noc(-c2cncc(O)c2)n1.
What is the InChIKey of 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is DBNVSNHQXOPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-3-4-12(13(5-9)20-2)14-17-15(21-18-14)10-6-11(19)8-16-7-10/h3-8,19H,1-2H3.
What are the key properties of 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 283.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 106793525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).