1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine

C7H10F2N2O — CID 84767076

IUPAC1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(C)(F)F)o1
InChIInChI=1S/C7H10F2N2O/c1-7(8,9)6-11-4-5(12-6)3-10-2/h4,10H,3H2,1-2H3
InChIKeyWBJNQLWZQBKCBU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.51
Rot. Bonds3

About 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine

1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine (PubChem CID 84767076) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
PubChem CID84767076
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(C)(F)F)o1
InChIInChI=1S/C7H10F2N2O/c1-7(8,9)6-11-4-5(12-6)3-10-2/h4,10H,3H2,1-2H3
InChIKeyWBJNQLWZQBKCBU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine (CID 84767076) is 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine is CNCc1cnc(C(C)(F)F)o1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
The InChIKey is WBJNQLWZQBKCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-7(8,9)6-11-4-5(12-6)3-10-2/h4,10H,3H2,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 176.17 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 84767076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).