2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine

C7H11FN2O — CID 84763991

IUPAC2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(CCN)oc1CF
InChIInChI=1S/C7H11FN2O/c1-5-6(4-8)11-7(10-5)2-3-9/h2-4,9H2,1H3
InChIKeyGIIBWITVSJRNRY-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.95
Rot. Bonds3

About 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine

2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 84763991) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID84763991
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(CCN)oc1CF
InChIInChI=1S/C7H11FN2O/c1-5-6(4-8)11-7(10-5)2-3-9/h2-4,9H2,1H3
InChIKeyGIIBWITVSJRNRY-UHFFFAOYSA-N
XLogP0.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (CID 84763991) is 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is Cc1nc(CCN)oc1CF.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is GIIBWITVSJRNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-5-6(4-8)11-7(10-5)2-3-9/h2-4,9H2,1H3.
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 158.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84763991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).