2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine

C8H12F2N2O — CID 84771378

IUPAC2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)c(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-5-7(8(9)10)13-6(12-5)3-4-11-2/h8,11H,3-4H2,1-2H3
InChIKeyWWIUEFSLNAXQKA-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.68
Rot. Bonds4

About 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine

2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 84771378) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID84771378
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)c(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-5-7(8(9)10)13-6(12-5)3-4-11-2/h8,11H,3-4H2,1-2H3
InChIKeyWWIUEFSLNAXQKA-UHFFFAOYSA-N
XLogP1.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole
CID 134224934
N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104632959
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-methylethanamine
CID 62335676
2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 84767071
N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164813
2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
CID 82401519
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-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65198819
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84772384
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183488

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine (CID 84771378) is 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1nc(C)c(C(F)F)o1.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is WWIUEFSLNAXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-7(8(9)10)13-6(12-5)3-4-11-2/h8,11H,3-4H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 190.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84771378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).