3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C16H15N3O4 — CID 912383

IUPAC3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)c(-c2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C16H15N3O4/c1-20-12-8-14(22-3)13(21-2)7-11(12)16-18-15(19-23-16)10-5-4-6-17-9-10/h4-9H,1-3H3
InChIKeyCRCINQYKSHBIPE-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.82
Rot. Bonds5

About 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 912383) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID912383
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)c(-c2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C16H15N3O4/c1-20-12-8-14(22-3)13(21-2)7-11(12)16-18-15(19-23-16)10-5-4-6-17-9-10/h4-9H,1-3H3
InChIKeyCRCINQYKSHBIPE-UHFFFAOYSA-N
XLogP2.82
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 912383) is 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(OC)c(-c2nc(-c3cccnc3)no2)cc1OC.
What is the InChIKey of 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CRCINQYKSHBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-20-12-8-14(22-3)13(21-2)7-11(12)16-18-15(19-23-16)10-5-4-6-17-9-10/h4-9H,1-3H3.
What are the key properties of 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 313.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 912383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).