1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-methyl-4-quinazolinyl)oxy)methyl)-3-(4-morpholinylmethyl)-
Basic information
- CAS
96548-00-4- Standard SMILES
Cc1nc(OCc2nn(CN3CCOCC3)c(=S)o2)c2ccccc2n1- InChIKey
LLNZURBKMDIUIN-UHFFFAOYSA-N- Molecular formula
- C17H19N5O3S
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.12086066
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-methyl-4-quinazolinyl)oxy)methyl)-3-(4-morpholinylmethyl)-
- IUPAC
- 5-[(2-methylquinazolin-4-yl)oxymethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 56452411,3,4-Oxadiazole-2(3H)-thione, 5-(((2-methyl-4-quinazolinyl)oxy)methyl)-3-(4-morpholinylmethyl)-96548-00-4DTXSID302423155-(((2-Methyl-4-quinazolinyl)oxy)methyl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thioneRefChem:216948DTXCID301648065-{[(2-Methylquinazolin-4-yl)oxy]methyl}-3-[(morpholin-4-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
96548-00-4- PubChem CID
- 57104
- DTXSID
DTXSID30242315
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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