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

C8H13FN2O — CID 84766256

IUPAC2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)c(CF)o1
InChIInChI=1S/C8H13FN2O/c1-6-7(5-9)12-8(11-6)3-4-10-2/h10H,3-5H2,1-2H3
InChIKeyBLLJSZFEKHKCEC-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.21
Rot. Bonds4

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

2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 84766256) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID84766256
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)c(CF)o1
InChIInChI=1S/C8H13FN2O/c1-6-7(5-9)12-8(11-6)3-4-10-2/h10H,3-5H2,1-2H3
InChIKeyBLLJSZFEKHKCEC-UHFFFAOYSA-N
XLogP1.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.21
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]-N-methylethanamine?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine (CID 84766256) is 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine is CNCCc1nc(C)c(CF)o1.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is BLLJSZFEKHKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6-7(5-9)12-8(11-6)3-4-10-2/h10H,3-5H2,1-2H3.
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine?
2-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 172.20 g/mol, XLogP of 1.21, 4 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]-N-methylethanamine is sourced from PubChem (CID 84766256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).