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

C7H11FN2O — CID 84763992

IUPAC1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)c(CF)o1
InChIInChI=1S/C7H11FN2O/c1-5-6(3-8)11-7(10-5)4-9-2/h9H,3-4H2,1-2H3
InChIKeyJCGGHMFWYLVMJQ-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.17
Rot. Bonds3

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

1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 84763992) 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]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID84763992
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)c(CF)o1
InChIInChI=1S/C7H11FN2O/c1-5-6(3-8)11-7(10-5)4-9-2/h9H,3-4H2,1-2H3
InChIKeyJCGGHMFWYLVMJQ-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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]-N-methylmethanamine?
The IUPAC name of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine (CID 84763992) is 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1nc(C)c(CF)o1.
What is the InChIKey of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is JCGGHMFWYLVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-5-6(3-8)11-7(10-5)4-9-2/h9H,3-4H2,1-2H3.
What are the key properties of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 158.18 g/mol, XLogP of 1.17, 3 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]-N-methylmethanamine is sourced from PubChem (CID 84763992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).