[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C14H13FN2O3 — CID 46471000

IUPAC[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(F)c2)no1)N1CCOCC1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-2-10(8-11)12-9-13(20-16-12)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2
InChIKeyLLBLTKMOKOSCSA-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.95
Rot. Bonds2

About [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 46471000) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID46471000
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(F)c2)no1)N1CCOCC1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-2-10(8-11)12-9-13(20-16-12)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2
InChIKeyLLBLTKMOKOSCSA-UHFFFAOYSA-N
XLogP1.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 46471000) is [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cccc(F)c2)no1)N1CCOCC1.
What is the InChIKey of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is LLBLTKMOKOSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-3-1-2-10(8-11)12-9-13(20-16-12)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2.
What are the key properties of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 276.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46471000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).