2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole

C9H13FN2O — CID 126990295

IUPAC2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(F)c1nnc(C2CCC2)o1
InChIInChI=1S/C9H13FN2O/c1-9(2,10)8-12-11-7(13-8)6-4-3-5-6/h6H,3-5H2,1-2H3
InChIKeyHQYHSZHIGUDQSJ-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.54
Rot. Bonds2

About 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole

2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole (PubChem CID 126990295) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole
PubChem CID126990295
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(F)c1nnc(C2CCC2)o1
InChIInChI=1S/C9H13FN2O/c1-9(2,10)8-12-11-7(13-8)6-4-3-5-6/h6H,3-5H2,1-2H3
InChIKeyHQYHSZHIGUDQSJ-UHFFFAOYSA-N
XLogP2.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole (CID 126990295) is 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole is CC(C)(F)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole?
The InChIKey is HQYHSZHIGUDQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(2,10)8-12-11-7(13-8)6-4-3-5-6/h6H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole has a molecular weight of 184.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(2-fluoropropan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 126990295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).