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

C9H15FN2O — CID 84770100

IUPAC1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(C(C)(C)F)o1
InChIInChI=1S/C9H15FN2O/c1-6(11-4)8-12-5-7(13-8)9(2,3)10/h5-6,11H,1-4H3
InChIKeyDAGXLNUYCRCJIQ-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.16
Rot. Bonds3

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

1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 84770100) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID84770100
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(C(C)(C)F)o1
InChIInChI=1S/C9H15FN2O/c1-6(11-4)8-12-5-7(13-8)9(2,3)10/h5-6,11H,1-4H3
InChIKeyDAGXLNUYCRCJIQ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 84770100) is 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(C(C)(C)F)o1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is DAGXLNUYCRCJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-6(11-4)8-12-5-7(13-8)9(2,3)10/h5-6,11H,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 186.23 g/mol, XLogP of 2.16, 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)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84770100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).