5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole

C11H12N6OS — CID 97019005

IUPAC5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cn2nnc(-c3cccs3)n2)no1
InChIInChI=1S/C11H12N6OS/c1-7(2)11-12-9(15-18-11)6-17-14-10(13-16-17)8-4-3-5-19-8/h3-5,7H,6H2,1-2H3
InChIKeyKMCLHVREAMYEIP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.96
Rot. Bonds4

About 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole

5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 97019005) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID97019005
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cn2nnc(-c3cccs3)n2)no1
InChIInChI=1S/C11H12N6OS/c1-7(2)11-12-9(15-18-11)6-17-14-10(13-16-17)8-4-3-5-19-8/h3-5,7H,6H2,1-2H3
InChIKeyKMCLHVREAMYEIP-UHFFFAOYSA-N
XLogP1.96
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole (CID 97019005) is 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole is CC(C)c1nc(Cn2nnc(-c3cccs3)n2)no1.
What is the InChIKey of 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is KMCLHVREAMYEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-7(2)11-12-9(15-18-11)6-17-14-10(13-16-17)8-4-3-5-19-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole?
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 276.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97019005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).