[5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine

C7H10F2N2O — CID 130906015

IUPAC[5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine
SMILESCC(F)(F)Cc1ocnc1CN
InChIInChI=1S/C7H10F2N2O/c1-7(8,9)2-6-5(3-10)11-4-12-6/h4H,2-3,10H2,1H3
InChIKeySINYDOQXCSGHNP-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.33
Rot. Bonds3

About [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine

[5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 130906015) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine
PubChem CID130906015
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name[5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine
SMILESCC(F)(F)Cc1ocnc1CN
InChIInChI=1S/C7H10F2N2O/c1-7(8,9)2-6-5(3-10)11-4-12-6/h4H,2-3,10H2,1H3
InChIKeySINYDOQXCSGHNP-UHFFFAOYSA-N
XLogP1.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine (CID 130906015) is [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine is CC(F)(F)Cc1ocnc1CN.
What is the InChIKey of [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is SINYDOQXCSGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-7(8,9)2-6-5(3-10)11-4-12-6/h4H,2-3,10H2,1H3.
What are the key properties of [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine?
[5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 176.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoropropyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 130906015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).