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

C8H12F2N2O — CID 84771382

IUPAC1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C)c(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-4-6(7(9)10)13-8(12-4)5(2)11-3/h5,7,11H,1-3H3
InChIKeyGEQYMFZXJATDHN-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.20
Rot. Bonds3

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

1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 84771382) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID84771382
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C)c(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-4-6(7(9)10)13-8(12-4)5(2)11-3/h5,7,11H,1-3H3
InChIKeyGEQYMFZXJATDHN-UHFFFAOYSA-N
XLogP2.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 47361631
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
(Dimethyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 137838497
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97328936
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole
CID 59146359
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 68235767

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine (CID 84771382) is 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1nc(C)c(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is GEQYMFZXJATDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-4-6(7(9)10)13-8(12-4)5(2)11-3/h5,7,11H,1-3H3.
What are the key properties of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 190.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84771382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).