3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine

C8H10F2N2O — CID 164765530

IUPAC3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine
SMILESCC1(c2cc(N)on2)CC(F)(F)C1
InChIInChI=1S/C8H10F2N2O/c1-7(3-8(9,10)4-7)5-2-6(11)13-12-5/h2H,3-4,11H2,1H3
InChIKeyWKFYZNMHCYIWLE-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.94
Rot. Bonds1

About 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine

3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine (PubChem CID 164765530) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine
PubChem CID164765530
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine
SMILESCC1(c2cc(N)on2)CC(F)(F)C1
InChIInChI=1S/C8H10F2N2O/c1-7(3-8(9,10)4-7)5-2-6(11)13-12-5/h2H,3-4,11H2,1H3
InChIKeyWKFYZNMHCYIWLE-UHFFFAOYSA-N
XLogP1.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine (CID 164765530) is 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine is CC1(c2cc(N)on2)CC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine?
The InChIKey is WKFYZNMHCYIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-7(3-8(9,10)4-7)5-2-6(11)13-12-5/h2H,3-4,11H2,1H3.
What are the key properties of 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine?
3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine has a molecular weight of 188.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-1-methylcyclobutyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 164765530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).