2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine

C6H9FN2O — CID 106417424

IUPAC2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESFCCNCc1ccno1
InChIInChI=1S/C6H9FN2O/c7-2-4-8-5-6-1-3-9-10-6/h1,3,8H,2,4-5H2
InChIKeyJZBWFDGBLCICHU-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.73
Rot. Bonds4

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

2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine (PubChem CID 106417424) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
PubChem CID106417424
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESFCCNCc1ccno1
InChIInChI=1S/C6H9FN2O/c7-2-4-8-5-6-1-3-9-10-6/h1,3,8H,2,4-5H2
InChIKeyJZBWFDGBLCICHU-UHFFFAOYSA-N
XLogP0.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1,2-oxazole-5-carboxamide
CID 60966581
N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
Isoxazol-5-ylmethanamine hydrochloride
CID 18442593
1-(1,2-Oxazol-5-yl)methanamine
CID 18442594
N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70457956
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
5-(Isocyanomethyl)-1,2-oxazole
CID 138967837
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103616141
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine (CID 106417424) is 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine is FCCNCc1ccno1.
What is the InChIKey of 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The InChIKey is JZBWFDGBLCICHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-2-4-8-5-6-1-3-9-10-6/h1,3,8H,2,4-5H2.
What are the key properties of 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine?
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine has a molecular weight of 144.15 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 106417424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).