2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine

C7H10F2N2O — CID 84767071

IUPAC2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNCCc1coc(C(F)F)n1
InChIInChI=1S/C7H10F2N2O/c1-10-3-2-5-4-12-7(11-5)6(8)9/h4,6,10H,2-3H2,1H3
InChIKeyGSQMVDHABQFLPJ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.37
Rot. Bonds4

About 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine

2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine (PubChem CID 84767071) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
PubChem CID84767071
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNCCc1coc(C(F)F)n1
InChIInChI=1S/C7H10F2N2O/c1-10-3-2-5-4-12-7(11-5)6(8)9/h4,6,10H,2-3H2,1H3
InChIKeyGSQMVDHABQFLPJ-UHFFFAOYSA-N
XLogP1.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221
N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115083605
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115084790
3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 84777762
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
4-bromo-2-(difluoromethyl)-1,3-oxazole
CID 84774747
N-methyl-2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanamine
CID 115082989
2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 89034695
N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 89034221
N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115083290
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082531

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine (CID 84767071) is 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine is CNCCc1coc(C(F)F)n1.
What is the InChIKey of 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The InChIKey is GSQMVDHABQFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-10-3-2-5-4-12-7(11-5)6(8)9/h4,6,10H,2-3H2,1H3.
What are the key properties of 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine?
2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine has a molecular weight of 176.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 84767071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).