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

C15H17FN2O2 — CID 97465759

IUPAC[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@]1(C(=O)N2CCCC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H17FN2O2/c1-15(14(19)18-7-2-3-8-18)10-13(17-20-15)11-5-4-6-12(16)9-11/h4-6,9H,2-3,7-8,10H2,1H3/t15-/m0/s1
InChIKeyXASNNJVXMPWROV-HNNXBMFYSA-N
MW276.31 g/mol
LogP2.33
Rot. Bonds2

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

[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97465759) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID97465759
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@]1(C(=O)N2CCCC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H17FN2O2/c1-15(14(19)18-7-2-3-8-18)10-13(17-20-15)11-5-4-6-12(16)9-11/h4-6,9H,2-3,7-8,10H2,1H3/t15-/m0/s1
InChIKeyXASNNJVXMPWROV-HNNXBMFYSA-N
XLogP2.33
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 97465759) is [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is C[C@@]1(C(=O)N2CCCC2)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XASNNJVXMPWROV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-15(14(19)18-7-2-3-8-18)10-13(17-20-15)11-5-4-6-12(16)9-11/h4-6,9H,2-3,7-8,10H2,1H3/t15-/m0/s1.
What are the key properties of [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97465759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).