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

C13H15N5O3 — CID 166989924

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(CCc2nnc(CCc3nc(C)no3)o2)on1
InChIInChI=1S/C13H15N5O3/c1-8-7-10(20-17-8)3-4-12-15-16-13(19-12)6-5-11-14-9(2)18-21-11/h7H,3-6H2,1-2H3
InChIKeyKVNKDTAYFMTGEI-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.63
Rot. Bonds6

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

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 166989924) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole
PubChem CID166989924
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(CCc2nnc(CCc3nc(C)no3)o2)on1
InChIInChI=1S/C13H15N5O3/c1-8-7-10(20-17-8)3-4-12-15-16-13(19-12)6-5-11-14-9(2)18-21-11/h7H,3-6H2,1-2H3
InChIKeyKVNKDTAYFMTGEI-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole (CID 166989924) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole is Cc1cc(CCc2nnc(CCc3nc(C)no3)o2)on1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is KVNKDTAYFMTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-7-10(20-17-8)3-4-12-15-16-13(19-12)6-5-11-14-9(2)18-21-11/h7H,3-6H2,1-2H3.
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-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 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 166989924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).