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

C9H15FN2O — CID 84770091

IUPAC1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)c(C(C)(C)F)o1
InChIInChI=1S/C9H15FN2O/c1-6-8(9(2,3)10)13-7(12-6)5-11-4/h11H,5H2,1-4H3
InChIKeyBZWJMRHTXJSZFK-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.91
Rot. Bonds3

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

1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 84770091) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID84770091
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)c(C(C)(C)F)o1
InChIInChI=1S/C9H15FN2O/c1-6-8(9(2,3)10)13-7(12-6)5-11-4/h11H,5H2,1-4H3
InChIKeyBZWJMRHTXJSZFK-UHFFFAOYSA-N
XLogP1.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine (CID 84770091) is 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1nc(C)c(C(C)(C)F)o1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is BZWJMRHTXJSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-6-8(9(2,3)10)13-7(12-6)5-11-4/h11H,5H2,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 186.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84770091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).