3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole

C9H13ClN2O — CID 130700399

IUPAC3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(Cl)no1)C1CCC1
InChIInChI=1S/C9H13ClN2O/c1-9(2,6-4-3-5-6)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3
InChIKeyVEPQUAIVYFBPOI-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.80
Rot. Bonds2

About 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole

3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 130700399) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID130700399
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(Cl)no1)C1CCC1
InChIInChI=1S/C9H13ClN2O/c1-9(2,6-4-3-5-6)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3
InChIKeyVEPQUAIVYFBPOI-UHFFFAOYSA-N
XLogP2.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole (CID 130700399) is 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1nc(Cl)no1)C1CCC1.
What is the InChIKey of 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is VEPQUAIVYFBPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-9(2,6-4-3-5-6)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole?
3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 200.67 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130700399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).