1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine

C7H10F2N2O — CID 84767066

IUPAC1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(C(F)F)o1
InChIInChI=1S/C7H10F2N2O/c1-4(10-2)7-11-3-5(12-7)6(8)9/h3-4,6,10H,1-2H3
InChIKeyFTVGCECHHPFGPR-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.89
Rot. Bonds3

About 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 84767066) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID84767066
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(C(F)F)o1
InChIInChI=1S/C7H10F2N2O/c1-4(10-2)7-11-3-5(12-7)6(8)9/h3-4,6,10H,1-2H3
InChIKeyFTVGCECHHPFGPR-UHFFFAOYSA-N
XLogP1.89
TPSA38.06 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 84767066) is 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is FTVGCECHHPFGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-4(10-2)7-11-3-5(12-7)6(8)9/h3-4,6,10H,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 176.17 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84767066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).