3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole

C16H17N3OS — CID 126806661

IUPAC3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(Cc2noc(CCc3ccc(C)s3)n2)cn1
InChIInChI=1S/C16H17N3OS/c1-11-3-5-13(10-17-11)9-15-18-16(20-19-15)8-7-14-6-4-12(2)21-14/h3-6,10H,7-9H2,1-2H3
InChIKeyHLXKAFGAOWSKMK-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.52
Rot. Bonds5

About 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole

3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 126806661) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole
PubChem CID126806661
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(Cc2noc(CCc3ccc(C)s3)n2)cn1
InChIInChI=1S/C16H17N3OS/c1-11-3-5-13(10-17-11)9-15-18-16(20-19-15)8-7-14-6-4-12(2)21-14/h3-6,10H,7-9H2,1-2H3
InChIKeyHLXKAFGAOWSKMK-UHFFFAOYSA-N
XLogP3.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole (CID 126806661) is 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole is Cc1ccc(Cc2noc(CCc3ccc(C)s3)n2)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is HLXKAFGAOWSKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-3-5-13(10-17-11)9-15-18-16(20-19-15)8-7-14-6-4-12(2)21-14/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole?
3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 299.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126806661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).