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

C10H10N2O — CID 10844968

IUPAC2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(Cc2nnco2)c1
InChIInChI=1S/C10H10N2O/c1-8-3-2-4-9(5-8)6-10-12-11-7-13-10/h2-5,7H,6H2,1H3
InChIKeyTVHIAQSXFHMUMD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.97
Rot. Bonds2

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

2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 10844968) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
PubChem CID10844968
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(Cc2nnco2)c1
InChIInChI=1S/C10H10N2O/c1-8-3-2-4-9(5-8)6-10-12-11-7-13-10/h2-5,7H,6H2,1H3
InChIKeyTVHIAQSXFHMUMD-UHFFFAOYSA-N
XLogP1.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole (CID 10844968) is 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole is Cc1cccc(Cc2nnco2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is TVHIAQSXFHMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-3-2-4-9(5-8)6-10-12-11-7-13-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole?
2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 174.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 10844968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).