3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole

C13H16N2O2 — CID 817374

IUPAC3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cc2ccccc2OC)no1
InChIInChI=1S/C13H16N2O2/c1-3-6-13-14-12(15-17-13)9-10-7-4-5-8-11(10)16-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyQWWBSTNFMKZQCC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.62
Rot. Bonds5

About 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole

3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 817374) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID817374
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cc2ccccc2OC)no1
InChIInChI=1S/C13H16N2O2/c1-3-6-13-14-12(15-17-13)9-10-7-4-5-8-11(10)16-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyQWWBSTNFMKZQCC-UHFFFAOYSA-N
XLogP2.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole (CID 817374) is 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(Cc2ccccc2OC)no1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is QWWBSTNFMKZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-6-13-14-12(15-17-13)9-10-7-4-5-8-11(10)16-2/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 232.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 817374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).