3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole

C16H15N3O3 — CID 913814

IUPAC3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1
InChIInChI=1S/C16H15N3O3/c1-10-8-9-12(15(17-10)21-3)14-18-16(22-19-14)11-6-4-5-7-13(11)20-2/h4-9H,1-3H3
InChIKeyCOTBDPHBVPAEOX-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.12
Rot. Bonds4

About 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole

3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 913814) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID913814
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1
InChIInChI=1S/C16H15N3O3/c1-10-8-9-12(15(17-10)21-3)14-18-16(22-19-14)11-6-4-5-7-13(11)20-2/h4-9H,1-3H3
InChIKeyCOTBDPHBVPAEOX-UHFFFAOYSA-N
XLogP3.12
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 913814) is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1.
What is the InChIKey of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is COTBDPHBVPAEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-8-9-12(15(17-10)21-3)14-18-16(22-19-14)11-6-4-5-7-13(11)20-2/h4-9H,1-3H3.
What are the key properties of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).