3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

C9H14F2N2O — CID 84777762

IUPAC3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1coc(C(C)(F)F)n1
InChIInChI=1S/C9H14F2N2O/c1-9(10,11)8-13-7(6-14-8)4-3-5-12-2/h6,12H,3-5H2,1-2H3
InChIKeyOVZFZWGXDRGIRG-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.94
Rot. Bonds5

About 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (PubChem CID 84777762) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
PubChem CID84777762
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1coc(C(C)(F)F)n1
InChIInChI=1S/C9H14F2N2O/c1-9(10,11)8-13-7(6-14-8)4-3-5-12-2/h6,12H,3-5H2,1-2H3
InChIKeyOVZFZWGXDRGIRG-UHFFFAOYSA-N
XLogP1.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084234
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084664
3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082861
2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 84767071
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (CID 84777762) is 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is CNCCCc1coc(C(C)(F)F)n1.
What is the InChIKey of 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is OVZFZWGXDRGIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-9(10,11)8-13-7(6-14-8)4-3-5-12-2/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 204.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84777762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).