2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

C15H17FN2OS — CID 97224814

IUPAC2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H](C)S[C@@H]2CCc3ccc(F)cc32)o1
InChIInChI=1S/C15H17FN2OS/c1-3-14-17-18-15(19-14)9(2)20-13-7-5-10-4-6-11(16)8-12(10)13/h4,6,8-9,13H,3,5,7H2,1-2H3/t9-,13+/m0/s1
InChIKeyDQKAXDQADUIOSS-TVQRCGJNSA-N
MW292.38 g/mol
LogP4.25
Rot. Bonds4

About 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 97224814) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID97224814
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H](C)S[C@@H]2CCc3ccc(F)cc32)o1
InChIInChI=1S/C15H17FN2OS/c1-3-14-17-18-15(19-14)9(2)20-13-7-5-10-4-6-11(16)8-12(10)13/h4,6,8-9,13H,3,5,7H2,1-2H3/t9-,13+/m0/s1
InChIKeyDQKAXDQADUIOSS-TVQRCGJNSA-N
XLogP4.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole 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-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (CID 97224814) is 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is CCc1nnc([C@H](C)S[C@@H]2CCc3ccc(F)cc32)o1.
What is the InChIKey of 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is DQKAXDQADUIOSS-TVQRCGJNSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-3-14-17-18-15(19-14)9(2)20-13-7-5-10-4-6-11(16)8-12(10)13/h4,6,8-9,13H,3,5,7H2,1-2H3/t9-,13+/m0/s1.
What are the key properties of 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 292.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 97224814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).