1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine

C7H11FN2O — CID 84764003

IUPAC1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(CF)o1
InChIInChI=1S/C7H11FN2O/c1-5(9-2)7-10-4-6(3-8)11-7/h4-5,9H,3H2,1-2H3
InChIKeyYDDYSNVFJQLEEA-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.42
Rot. Bonds3

About 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 84764003) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID84764003
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(CF)o1
InChIInChI=1S/C7H11FN2O/c1-5(9-2)7-10-4-6(3-8)11-7/h4-5,9H,3H2,1-2H3
InChIKeyYDDYSNVFJQLEEA-UHFFFAOYSA-N
XLogP1.42
TPSA38.06 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 84764003) is 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(CF)o1.
What is the InChIKey of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is YDDYSNVFJQLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-5(9-2)7-10-4-6(3-8)11-7/h4-5,9H,3H2,1-2H3.
What are the key properties of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 158.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).