5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole

C15H16N6O — CID 154781727

IUPAC5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCC1(CCc2nc(-c3cccc(-n4cnnn4)c3)no2)CC1
InChIInChI=1S/C15H16N6O/c1-15(7-8-15)6-5-13-17-14(18-22-13)11-3-2-4-12(9-11)21-10-16-19-20-21/h2-4,9-10H,5-8H2,1H3
InChIKeyVKKLXOBSGWXVSO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.44
Rot. Bonds5

About 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole

5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 154781727) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
PubChem CID154781727
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCC1(CCc2nc(-c3cccc(-n4cnnn4)c3)no2)CC1
InChIInChI=1S/C15H16N6O/c1-15(7-8-15)6-5-13-17-14(18-22-13)11-3-2-4-12(9-11)21-10-16-19-20-21/h2-4,9-10H,5-8H2,1H3
InChIKeyVKKLXOBSGWXVSO-UHFFFAOYSA-N
XLogP2.44
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole (CID 154781727) is 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole is CC1(CCc2nc(-c3cccc(-n4cnnn4)c3)no2)CC1.
What is the InChIKey of 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is VKKLXOBSGWXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-15(7-8-15)6-5-13-17-14(18-22-13)11-3-2-4-12(9-11)21-10-16-19-20-21/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154781727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).