4-Bromo-6-methyl-2-(3-pyridinyl)-8H-chromeno(6,7-d)(1,3)oxazol-8-one
Basic information
- CAS
72193-13-6- Standard SMILES
Cc1cc(=O)c2cc3nc(-c4cccnc4)oc3c(Br)c2o1- InChIKey
VUFLUHDSNKDKFO-UHFFFAOYSA-N- Molecular formula
- C16H9BrN2O3
- Average molar mass
- 357.16 g/mol
- Monoisotopic mass
- 355.97965
Names & identifiers
- Preferred name
- 4-Bromo-6-methyl-2-(3-pyridinyl)-8H-chromeno(6,7-d)(1,3)oxazol-8-one
- IUPAC
- 4-bromo-6-methyl-2-pyridin-3-ylpyrano[3,2-f][1,3]benzoxazol-8-one
Names & synonyms
72193-13-6NSC353263MLS0007568924-Bromo-6-methyl-2-(pyridin-3-yl)-8H-chromeno[6,7-d]oxazol-8-one4-Bromo-6-methyl-2-(3-pyridinyl)-8H-chromeno(6,7-d)(1,3)oxazol-8-one4-Bromo-6-methyl-2-(3-pyridinyl)-8H-chromeno[6,7-d][1,3]oxazol-8-oneNSC 353263CHEMBL1383812DTXSID20222520HMS2886D11NSC-353263NCGC00246800-01
Show more names
SMR0005289834-bromo-6-methyl-2-(3-pyridyl)pyrano[3,2-f][1,3]benzoxazol-8-one4-Bromo-6-methyl-2-(pyridin-3-yl)-8H-pyrano[3,2-f][1,3]benzoxazol-8-one
Database identifiers
- CAS
72193-13-6- PubChem CID
- 336937
- DTXSID
DTXSID20222520- ChEMBL
CHEMBL1383812
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
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Compound notes
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