Basic information
- CAS
102395-99-3- Standard SMILES
COC(=O)c1ccc(C)c(NC2=NCCO2)c1- InChIKey
QDDBTTSWVOTEIW-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- p-Toluic acid, 3-(2-oxazolinyl)amino-, methyl ester
- IUPAC
- methyl 3-(4,5-dihydro-1,3-oxazol-2-ylamino)-4-methylbenzoate
Names & synonyms
p-Toluic acid, 3-(2-oxazolinyl)amino-, methyl ester2-(5-Carbomethoxy-2-methylanilino)-2-oxazoline102395-99-3Aniline, 5-carbomethoxy-2-methyl-N-(2-oxazolinyl)-Benzoic acid, 3-((4,5-dihydro-2-oxazolyl)amino)-4-methyl-, methyl esterDTXSID80145029RefChem:367791DTXCID3067520NSC162273methyl 3-[(4,5-dihydro-1,3-oxazol-2-yl)amino]-4-methylbenzoateNSC-162273
Database identifiers
- CAS
102395-99-3- PubChem CID
- 294243
- DTXSID
DTXSID80145029- Nikkaji
- J154.050E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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