3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole

C13H16N2O — CID 58078831

IUPAC3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(C)no2)cc1C
InChIInChI=1S/C13H16N2O/c1-4-5-11-6-7-12(8-9(11)2)13-14-10(3)15-16-13/h6-8H,4-5H2,1-3H3
InChIKeyZYWLOBAXCKAQGU-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.31
Rot. Bonds3

About 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole

3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 58078831) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole
PubChem CID58078831
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(C)no2)cc1C
InChIInChI=1S/C13H16N2O/c1-4-5-11-6-7-12(8-9(11)2)13-14-10(3)15-16-13/h6-8H,4-5H2,1-3H3
InChIKeyZYWLOBAXCKAQGU-UHFFFAOYSA-N
XLogP3.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole (CID 58078831) is 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2nc(C)no2)cc1C.
What is the InChIKey of 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZYWLOBAXCKAQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-5-11-6-7-12(8-9(11)2)13-14-10(3)15-16-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole?
3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 216.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58078831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).