2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole

C17H17N3O2 — CID 75380476

IUPAC2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1ccc(OCc2nnc(Cc3ccccc3C)o2)nc1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-15(18-10-12)21-11-17-20-19-16(22-17)9-14-6-4-3-5-13(14)2/h3-8,10H,9,11H2,1-2H3
InChIKeyODUZQQFMCYZXFF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.25
Rot. Bonds5

About 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole

2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 75380476) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
PubChem CID75380476
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1ccc(OCc2nnc(Cc3ccccc3C)o2)nc1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-15(18-10-12)21-11-17-20-19-16(22-17)9-14-6-4-3-5-13(14)2/h3-8,10H,9,11H2,1-2H3
InChIKeyODUZQQFMCYZXFF-UHFFFAOYSA-N
XLogP3.25
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole (CID 75380476) is 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole is Cc1ccc(OCc2nnc(Cc3ccccc3C)o2)nc1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is ODUZQQFMCYZXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-7-8-15(18-10-12)21-11-17-20-19-16(22-17)9-14-6-4-3-5-13(14)2/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-5-[(5-methyl-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75380476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).