[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine

C7H10F2N2O2 — CID 82005888

IUPAC[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCC(F)F)on1
InChIInChI=1S/C7H10F2N2O2/c8-7(9)4-12-3-6-1-5(2-10)11-13-6/h1,7H,2-4,10H2
InChIKeyUVYBPVIDBLDUGV-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.92
Rot. Bonds5

About [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine

[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 82005888) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID82005888
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCC(F)F)on1
InChIInChI=1S/C7H10F2N2O2/c8-7(9)4-12-3-6-1-5(2-10)11-13-6/h1,7H,2-4,10H2
InChIKeyUVYBPVIDBLDUGV-UHFFFAOYSA-N
XLogP0.92
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 82005888) is [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(COCC(F)F)on1.
What is the InChIKey of [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is UVYBPVIDBLDUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c8-7(9)4-12-3-6-1-5(2-10)11-13-6/h1,7H,2-4,10H2.
What are the key properties of [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 192.16 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 82005888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).