2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole

C12H14N2OS — CID 68912058

IUPAC2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(c1nnc(C2CC2)o1)c1cccs1
InChIInChI=1S/C12H14N2OS/c1-12(2,9-4-3-7-16-9)11-14-13-10(15-11)8-5-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCXNPUYSBJFNBBD-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.33
Rot. Bonds3

About 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole

2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole (PubChem CID 68912058) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole
PubChem CID68912058
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(c1nnc(C2CC2)o1)c1cccs1
InChIInChI=1S/C12H14N2OS/c1-12(2,9-4-3-7-16-9)11-14-13-10(15-11)8-5-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCXNPUYSBJFNBBD-UHFFFAOYSA-N
XLogP3.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole (CID 68912058) is 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole is CC(C)(c1nnc(C2CC2)o1)c1cccs1.
What is the InChIKey of 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The InChIKey is CXNPUYSBJFNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-12(2,9-4-3-7-16-9)11-14-13-10(15-11)8-5-6-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole?
2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole has a molecular weight of 234.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 68912058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).