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

C14H15FN2O2 — CID 6619749

IUPAC[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCC1
InChIInChI=1S/C14H15FN2O2/c15-11-5-3-10(4-6-11)12-9-13(19-16-12)14(18)17-7-1-2-8-17/h3-6,13H,1-2,7-9H2
InChIKeyXMWGXZNMVNCAEI-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.94
Rot. Bonds2

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

[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 6619749) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID6619749
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCC1
InChIInChI=1S/C14H15FN2O2/c15-11-5-3-10(4-6-11)12-9-13(19-16-12)14(18)17-7-1-2-8-17/h3-6,13H,1-2,7-9H2
InChIKeyXMWGXZNMVNCAEI-UHFFFAOYSA-N
XLogP1.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 6619749) is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCC1.
What is the InChIKey of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XMWGXZNMVNCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-11-5-3-10(4-6-11)12-9-13(19-16-12)14(18)17-7-1-2-8-17/h3-6,13H,1-2,7-9H2.
What are the key properties of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 262.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 6619749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).