N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine

C8H12F2N2O — CID 106371339

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1cnc(CNCC(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-2-6-3-12-8(13-6)5-11-4-7(9)10/h3,7,11H,2,4-5H2,1H3
InChIKeySGFKEBMLAXIACH-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.59
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 106371339) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID106371339
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1cnc(CNCC(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-2-6-3-12-8(13-6)5-11-4-7(9)10/h3,7,11H,2,4-5H2,1H3
InChIKeySGFKEBMLAXIACH-UHFFFAOYSA-N
XLogP1.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine with MolForge

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Related Compounds

(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
CID 106373494
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106371593
1-(3,4-difluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275334
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine (CID 106371339) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine is CCc1cnc(CNCC(F)F)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is SGFKEBMLAXIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-2-6-3-12-8(13-6)5-11-4-7(9)10/h3,7,11H,2,4-5H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 190.19 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 106371339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).