(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one

C13H12N2O3S — CID 40973258

IUPAC(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
SMILESC[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3)o2)C(=O)O1
InChIInChI=1S/C13H12N2O3S/c1-8-7-10(12(16)17-8)19-13-15-14-11(18-13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10-/m1/s1
InChIKeyYLFIHFSUPMQZIE-PSASIEDQSA-N
MW276.32 g/mol
LogP2.53
Rot. Bonds3

About (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one

(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 40973258) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID40973258
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
SMILESC[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3)o2)C(=O)O1
InChIInChI=1S/C13H12N2O3S/c1-8-7-10(12(16)17-8)19-13-15-14-11(18-13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10-/m1/s1
InChIKeyYLFIHFSUPMQZIE-PSASIEDQSA-N
XLogP2.53
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one with MolForge

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Related Compounds

(3R,5R)-3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 40972772
(3R,5S)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 9451345
(3S,5R)-3-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 41022846
(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one
CID 7861362
(3S,5R)-5-methyl-3-(4-phenylphthalazin-1-yl)sulfanyloxolan-2-one
CID 41321095
(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 41083030
(3S,5R)-5-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one
CID 41042328
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
(3S,5S)-3-[[5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 95168525
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 866841
5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one
CID 130978509
(3S,5R)-3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 95901480

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one (CID 40973258) is (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one is C[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3)o2)C(=O)O1.
What is the InChIKey of (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is YLFIHFSUPMQZIE-PSASIEDQSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-7-10(12(16)17-8)19-13-15-14-11(18-13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 276.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 40973258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).