3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole

C12H14N2O — CID 3846725

IUPAC3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H14N2O/c1-3-4-11-13-12(14-15-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyAKMOYSDZOWQHDU-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.00
Rot. Bonds3

About 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole

3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole (PubChem CID 3846725) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole
PubChem CID3846725
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H14N2O/c1-3-4-11-13-12(14-15-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyAKMOYSDZOWQHDU-UHFFFAOYSA-N
XLogP3.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole (CID 3846725) is 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole is CCCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole?
The InChIKey is AKMOYSDZOWQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-4-11-13-12(14-15-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole has a molecular weight of 202.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 3846725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).