2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine

C6H8F2N2O — CID 115405773

IUPAC2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnco1
InChIInChI=1S/C6H8F2N2O/c7-6(8)3-9-1-5-2-10-4-11-5/h2,4,6,9H,1,3H2
InChIKeyIVQPZCMAYABVFI-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.03
Rot. Bonds4

About 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine

2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine (PubChem CID 115405773) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine
PubChem CID115405773
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnco1
InChIInChI=1S/C6H8F2N2O/c7-6(8)3-9-1-5-2-10-4-11-5/h2,4,6,9H,1,3H2
InChIKeyIVQPZCMAYABVFI-UHFFFAOYSA-N
XLogP1.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-1,3-oxazole
CID 54409704
Oxazol-5-ylmethanamine
CID 23404337
(1,3-Oxazol-5-yl)methanamine dihydrochloride
CID 71811106
(2-Methyl-1,3-oxazol-5-yl)methanamine
CID 19105071
(1,3-Oxazol-5-yl)methanamine hydrochloride
CID 45790095
N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458100
N'-[(2-fluoro-1,3-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70458137
N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458363
5-(Piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
CID 82663544
2,2,2-trifluoro-N-[2-(1,3-oxazol-5-yl)ethyl]acetamide
CID 124192032
5-(Difluoromethyl)oxazole
CID 129532492
2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide
CID 140916817

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine (CID 115405773) is 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine is FC(F)CNCc1cnco1.
What is the InChIKey of 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The InChIKey is IVQPZCMAYABVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c7-6(8)3-9-1-5-2-10-4-11-5/h2,4,6,9H,1,3H2.
What are the key properties of 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine?
2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine has a molecular weight of 162.14 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115405773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).