(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

C12H9ClN2O3S — CID 51983842

IUPAC(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1C[C@H](Sc2nnc(-c3ccc(Cl)cc3)o2)CO1
InChIInChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)11-14-15-12(18-11)19-9-5-10(16)17-6-9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyNNIONFAZPQALBS-VIFPVBQESA-N
MW296.74 g/mol
LogP2.80
Rot. Bonds3

About (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 51983842) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID51983842
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Name(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1C[C@H](Sc2nnc(-c3ccc(Cl)cc3)o2)CO1
InChIInChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)11-14-15-12(18-11)19-9-5-10(16)17-6-9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyNNIONFAZPQALBS-VIFPVBQESA-N
XLogP2.80
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one with MolForge

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Related Compounds

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7907124
2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-amine
CID 39369238
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133425825
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
CID 166291837
2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 4813620
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 861518
2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 153350066
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7940540
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1071905

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (CID 51983842) is (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is O=C1C[C@H](Sc2nnc(-c3ccc(Cl)cc3)o2)CO1.
What is the InChIKey of (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is NNIONFAZPQALBS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)11-14-15-12(18-11)19-9-5-10(16)17-6-9/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 296.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 51983842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).