2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone

C16H17FN2O3 — CID 20906214

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCCC1
InChIInChI=1S/C16H17FN2O3/c17-13-5-3-12(4-6-13)15-9-14(18-22-15)10-21-11-16(20)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10-11H2
InChIKeyYPALZJYKJULUEB-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.62
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 20906214) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID20906214
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCCC1
InChIInChI=1S/C16H17FN2O3/c17-13-5-3-12(4-6-13)15-9-14(18-22-15)10-21-11-16(20)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10-11H2
InChIKeyYPALZJYKJULUEB-UHFFFAOYSA-N
XLogP2.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone 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 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 20906214) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone is O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCCC1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is YPALZJYKJULUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-13-5-3-12(4-6-13)15-9-14(18-22-15)10-21-11-16(20)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10-11H2.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 20906214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).