Sbb027177

HCID 11310285

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Basic information

CAS: 206055-84-7
Standard SMILES: COc1ccc(C2=NOC(CO)C2)cc1
InChIKey: VLLYRDLFJWFLGB-UHFFFAOYSA-N
Molecular formula: C11H13NO3
Average molar mass: 207.23 g/mol
Monoisotopic mass: 207.08954328

Names & identifiers

Preferred name: Sbb027177
IUPAC: [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

Names & synonyms

206055-84-7SBB027177DTXSID00461935RefChem:379939DTXCID90412754[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol5-Isoxazolemethanol, 4,5-dihydro-3-(4-methoxyphenyl)-(3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methanol[3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methan-1-olCHEMBL3446102SCHEMBL29699558VLLYRDLFJWFLGB-UHFFFAOYSA-N

Show more names

STK695682AKOS005607006DB-411863ST4148397CS-03571744,5-Dihydro-3-(4-methoxyphenyl)-5-isoxazolemethanol

Database identifiers

CAS: 206055-84-7
PubChem CID: 11310285
DTXSID: DTXSID00461935
ChEMBL: CHEMBL3446102
Nikkaji: J1.635.770G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 234

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