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

C12H15FN2O — CID 84687585

IUPAC1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine
SMILESCC(N)CC1=NC(c2cccc(F)c2)CO1
InChIInChI=1S/C12H15FN2O/c1-8(14)5-12-15-11(7-16-12)9-3-2-4-10(13)6-9/h2-4,6,8,11H,5,7,14H2,1H3
InChIKeyOLUBSCMBAUQDJR-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.03
Rot. Bonds3

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

1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine (PubChem CID 84687585) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine
PubChem CID84687585
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine
SMILESCC(N)CC1=NC(c2cccc(F)c2)CO1
InChIInChI=1S/C12H15FN2O/c1-8(14)5-12-15-11(7-16-12)9-3-2-4-10(13)6-9/h2-4,6,8,11H,5,7,14H2,1H3
InChIKeyOLUBSCMBAUQDJR-UHFFFAOYSA-N
XLogP2.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine (CID 84687585) is 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine is CC(N)CC1=NC(c2cccc(F)c2)CO1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine?
The InChIKey is OLUBSCMBAUQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(14)5-12-15-11(7-16-12)9-3-2-4-10(13)6-9/h2-4,6,8,11H,5,7,14H2,1H3.
What are the key properties of 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine?
1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine has a molecular weight of 222.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-amine is sourced from PubChem (CID 84687585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).