1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone

C18H17FN2O2 — CID 95063961

IUPAC1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC[C@@]1(c2ccccc2)OC(c2ccc(F)cc2)=NN1C(C)=O
InChIInChI=1S/C18H17FN2O2/c1-3-18(15-7-5-4-6-8-15)21(13(2)22)20-17(23-18)14-9-11-16(19)12-10-14/h4-12H,3H2,1-2H3/t18-/m0/s1
InChIKeyXBXTXEILSGMIJM-SFHVURJKSA-N
MW312.34 g/mol
LogP3.63
Rot. Bonds3

About 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone

1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 95063961) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID95063961
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC[C@@]1(c2ccccc2)OC(c2ccc(F)cc2)=NN1C(C)=O
InChIInChI=1S/C18H17FN2O2/c1-3-18(15-7-5-4-6-8-15)21(13(2)22)20-17(23-18)14-9-11-16(19)12-10-14/h4-12H,3H2,1-2H3/t18-/m0/s1
InChIKeyXBXTXEILSGMIJM-SFHVURJKSA-N
XLogP3.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone 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 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone (CID 95063961) is 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone is CC[C@@]1(c2ccccc2)OC(c2ccc(F)cc2)=NN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is XBXTXEILSGMIJM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-18(15-7-5-4-6-8-15)21(13(2)22)20-17(23-18)14-9-11-16(19)12-10-14/h4-12H,3H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 312.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethyl-5-(4-fluorophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 95063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).