(5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester
Basic information
- CAS
5807-40-9- Standard SMILES
Cc1ccc(-c2nnc(SCC(=O)OC(C)C)o2)cc1- InChIKey
UINYZFUDDHBETG-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3S
- Average molar mass
- 292.36 g/mol
- Monoisotopic mass
- 292.08816355
Names & identifiers
- Preferred name
- (5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester
- IUPAC
- propan-2-yl 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Names & synonyms
5807-40-9propan-2-yl 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetatepropan-2-yl {[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate(5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl esterCBMicro_006662DTXSID20354719HMS1609B15SMSF0007964STK993901AKOS000575563CB09308CCG-105559
Show more names
BIM-0006662.P001EU-0044055ST50249317AG-690/12869967SR-01000485949SR-01000485949-1isopropyl {[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio}acetateisopropyl {[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Database identifiers
- CAS
5807-40-9- PubChem CID
- 779976
- DTXSID
DTXSID20354719
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
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Related reactions
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Compound notes
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