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

C6H8F2N2O — CID 84764458

IUPAC1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(F)F)o1
InChIInChI=1S/C6H8F2N2O/c1-9-2-4-3-10-6(11-4)5(7)8/h3,5,9H,2H2,1H3
InChIKeyCGNOUPKBKILHLJ-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.33
Rot. Bonds3

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

1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine (PubChem CID 84764458) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
PubChem CID84764458
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(F)F)o1
InChIInChI=1S/C6H8F2N2O/c1-9-2-4-3-10-6(11-4)5(7)8/h3,5,9H,2H2,1H3
InChIKeyCGNOUPKBKILHLJ-UHFFFAOYSA-N
XLogP1.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyloxazole
CID 89961
2-Ethyl-5-methyloxazole
CID 528403
(2-Methyl-1,3-oxazol-5-yl)methanamine
CID 19105071
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
(2-Ethyl-1,3-oxazol-5-yl)methanamine
CID 82074647
1-(2-Tert-butyl-1,3-oxazol-5-yl)methanamine
CID 82074678
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
(2-Cyclopropyl-1,3-oxazol-5-yl)methanamine
CID 82074651
1-[2-(Propan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 82074655
2-(5-Methyloxazol-2-YL)ethan-1-amine dihydrochloride
CID 165691394
2,2,2-Trifluoro-1-(5-methyloxazol-2-yl)ethan-1-aminium chloride
CID 168474941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine (CID 84764458) is 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine is CNCc1cnc(C(F)F)o1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
The InChIKey is CGNOUPKBKILHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-9-2-4-3-10-6(11-4)5(7)8/h3,5,9H,2H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine?
1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 162.14 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 84764458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).