2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole

C7H8F2N2O — CID 130842492

IUPAC2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CC(F)(F)C2)o1
InChIInChI=1S/C7H8F2N2O/c1-4-10-11-6(12-4)5-2-7(8,9)3-5/h5H,2-3H2,1H3
InChIKeyOSYLXOVCTCNFLN-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.89
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole

2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 130842492) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole
PubChem CID130842492
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CC(F)(F)C2)o1
InChIInChI=1S/C7H8F2N2O/c1-4-10-11-6(12-4)5-2-7(8,9)3-5/h5H,2-3H2,1H3
InChIKeyOSYLXOVCTCNFLN-UHFFFAOYSA-N
XLogP1.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 144584671
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;propane
CID 153404775
2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole
CID 125457953
N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide
CID 138495571
trans-(1R,2R)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]cyclohexan-1-ol
CID 95827633
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
CID 58509447
[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 110203266
2-(2-cyclopropylcyclopropyl)-5-methyl-1,3,4-oxadiazole
CID 130622278
2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110421409
2-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
CID 176759294

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole (CID 130842492) is 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2CC(F)(F)C2)o1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is OSYLXOVCTCNFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4-10-11-6(12-4)5-2-7(8,9)3-5/h5H,2-3H2,1H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole?
2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 174.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 130842492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).