3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine

C13H15FN2O — CID 47003118

IUPAC3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H15FN2O/c1-15-8-2-3-12-9-13(16-17-12)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3
InChIKeyNNCHQODVNZTZCU-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.63
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine

3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine (PubChem CID 47003118) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine
PubChem CID47003118
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H15FN2O/c1-15-8-2-3-12-9-13(16-17-12)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3
InChIKeyNNCHQODVNZTZCU-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine (CID 47003118) is 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine is CNCCCc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is NNCHQODVNZTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-15-8-2-3-12-9-13(16-17-12)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine?
3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 234.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 47003118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).