5-(1,3-Benzodioxol-5-yl)-4,5-dihydro-4-methyl-2-oxazolamine
Basic information
- CAS
1445573-16-9- Standard SMILES
CC1N=C(N)OC1c1ccc2c(c1)OCO2- InChIKey
JFKNBDXNCLMRPL-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 5-(1,3-Benzodioxol-5-yl)-4,5-dihydro-4-methyl-2-oxazolamine
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
1445573-16-95-(1,3-Benzodioxol-5-yl)-4,5-dihydro-4-methyl-2-oxazolamineMDMARDTXSID201336901
Database identifiers
- CAS
1445573-16-9- PubChem CID
- 163190697
- DTXSID
DTXSID201336901
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
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Compound notes
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