3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine

C7H8F2N2O — CID 138989384

IUPAC3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine
SMILESNc1cc(C2CC(F)(F)C2)no1
InChIInChI=1S/C7H8F2N2O/c8-7(9)2-4(3-7)5-1-6(10)12-11-5/h1,4H,2-3,10H2
InChIKeySLRCLGGSYMZHDQ-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.77
Rot. Bonds1

About 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine

3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine (PubChem CID 138989384) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine
PubChem CID138989384
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine
SMILESNc1cc(C2CC(F)(F)C2)no1
InChIInChI=1S/C7H8F2N2O/c8-7(9)2-4(3-7)5-1-6(10)12-11-5/h1,4H,2-3,10H2
InChIKeySLRCLGGSYMZHDQ-UHFFFAOYSA-N
XLogP1.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine (CID 138989384) is 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine is Nc1cc(C2CC(F)(F)C2)no1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine?
The InChIKey is SLRCLGGSYMZHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)2-4(3-7)5-1-6(10)12-11-5/h1,4H,2-3,10H2.
What are the key properties of 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine?
3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine has a molecular weight of 174.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 138989384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).