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

C7H11FN2O — CID 84763993

IUPAC1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(C(C)N)oc1CF
InChIInChI=1S/C7H11FN2O/c1-4(9)7-10-5(2)6(3-8)11-7/h4H,3,9H2,1-2H3
InChIKeyHBLPACBJMTZMOE-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.47
Rot. Bonds2

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

1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 84763993) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID84763993
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(C(C)N)oc1CF
InChIInChI=1S/C7H11FN2O/c1-4(9)7-10-5(2)6(3-8)11-7/h4H,3,9H2,1-2H3
InChIKeyHBLPACBJMTZMOE-UHFFFAOYSA-N
XLogP1.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (CID 84763993) is 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is Cc1nc(C(C)N)oc1CF.
What is the InChIKey of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is HBLPACBJMTZMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-4(9)7-10-5(2)6(3-8)11-7/h4H,3,9H2,1-2H3.
What are the key properties of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 158.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84763993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).