3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole

C13H15N5O3 — CID 146633190

IUPAC3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1cc(CCc2nc(CCc3noc(C)n3)no2)on1
InChIInChI=1S/C13H15N5O3/c1-8-7-10(20-16-8)3-6-13-15-12(18-21-13)5-4-11-14-9(2)19-17-11/h7H,3-6H2,1-2H3
InChIKeyKTVUBYMGTAOKKE-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.63
Rot. Bonds6

About 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole

3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 146633190) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole
PubChem CID146633190
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1cc(CCc2nc(CCc3noc(C)n3)no2)on1
InChIInChI=1S/C13H15N5O3/c1-8-7-10(20-16-8)3-6-13-15-12(18-21-13)5-4-11-14-9(2)19-17-11/h7H,3-6H2,1-2H3
InChIKeyKTVUBYMGTAOKKE-UHFFFAOYSA-N
XLogP1.63
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole (CID 146633190) is 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole is Cc1cc(CCc2nc(CCc3noc(C)n3)no2)on1.
What is the InChIKey of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is KTVUBYMGTAOKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-7-10(20-16-8)3-6-13-15-12(18-21-13)5-4-11-14-9(2)19-17-11/h7H,3-6H2,1-2H3.
What are the key properties of 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole?
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 289.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146633190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).