1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine

C13H15FN2O — CID 115087282

IUPAC1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccccc2F)o1
InChIInChI=1S/C13H15FN2O/c1-9(15-2)7-10-8-16-13(17-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3
InChIKeyBRBOAZRTJPLWOG-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine

1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine (PubChem CID 115087282) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
PubChem CID115087282
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccccc2F)o1
InChIInChI=1S/C13H15FN2O/c1-9(15-2)7-10-8-16-13(17-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3
InChIKeyBRBOAZRTJPLWOG-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine (CID 115087282) is 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnc(-c2ccccc2F)o1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is BRBOAZRTJPLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9(15-2)7-10-8-16-13(17-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 234.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115087282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).