3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine

C12H15FN2O — CID 115060984

IUPAC3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2cccc(F)c2)=N1
InChIInChI=1S/C12H15FN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2
InChIKeyINPSJOTVAQXJRC-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.71
Rot. Bonds4

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

3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115060984) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115060984
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2cccc(F)c2)=N1
InChIInChI=1S/C12H15FN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2
InChIKeyINPSJOTVAQXJRC-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 115060984) is 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is NCCCC1COC(c2cccc(F)c2)=N1.
What is the InChIKey of 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is INPSJOTVAQXJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2.
What are the key properties of 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 222.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115060984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).