2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole

C19H14FN3OS2 — CID 8601275

IUPAC2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESC[C@@H](Sc1nc(-c2ccccc2)cs1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H14FN3OS2/c1-12(17-22-23-18(24-17)14-7-9-15(20)10-8-14)26-19-21-16(11-25-19)13-5-3-2-4-6-13/h2-12H,1H3/t12-/m1/s1
InChIKeyLCSDGQWKFFMYOI-GFCCVEGCSA-N
MW383.47 g/mol
LogP5.85
Rot. Bonds5

About 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 8601275) has the molecular formula C19H14FN3OS2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID8601275
Molecular FormulaC19H14FN3OS2
Molecular Weight383.47 g/mol
Exact Mass383.06
IUPAC Name2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESC[C@@H](Sc1nc(-c2ccccc2)cs1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H14FN3OS2/c1-12(17-22-23-18(24-17)14-7-9-15(20)10-8-14)26-19-21-16(11-25-19)13-5-3-2-4-6-13/h2-12H,1H3/t12-/m1/s1
InChIKeyLCSDGQWKFFMYOI-GFCCVEGCSA-N
XLogP5.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 8939690
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 112778299
2-[1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807372
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(4-ethoxyphenyl)-5-[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8913952
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824658
2-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29351676

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole (CID 8601275) is 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole is C[C@@H](Sc1nc(-c2ccccc2)cs1)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is LCSDGQWKFFMYOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H14FN3OS2/c1-12(17-22-23-18(24-17)14-7-9-15(20)10-8-14)26-19-21-16(11-25-19)13-5-3-2-4-6-13/h2-12H,1H3/t12-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 383.47 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8601275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).