Basic information
- CAS
15263-48-6- Standard SMILES
OCC1COC(c2ccccc2)=N1- InChIKey
NRVMSFKEGIGIHL-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- (2-Phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
- IUPAC
- (2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
- English name
- NSC359875
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
15263-48-6(2-Phenyl-4,5-dihydrooxazol-4-yl)methanol(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanolMLS0031711712-Phenyl-4-(hydroxymethyl)-2-oxazolineNSC359875SCHEMBL1439357NRVMSFKEGIGIHL-UHFFFAOYSA-DTXSID10320463NRVMSFKEGIGIHL-UHFFFAOYSA-NNSC-3598754,5-Dihydro-2-phenyl-4-oxazolemethanol
Show more names
4-Oxazolemethanol, 4,5-dihydro-2-phenyl-
2-phenyl-2-oxazolin-4-yl methyl alcoholSMR001875078DB-395982InChI=1/C10H11NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
Database identifiers
- CAS
15263-48-6- PubChem CID
- 338264
- DTXSID
DTXSID10320463
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 330.3 · 330.3±15.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane, Ethyl Acetate, Methanol
- pka
- 14.22 · 14.22±0.10(Predicted)
- form
- Solid
- color
- Yellow-brown
Chemistry & industry
Applications
Uses2-Phenyl-4-(hydroxymethyl)-2-oxazoline is an intermediate of (S)-Valiolamine Voglibose, which is the main S-enantiomeric intermediate of Voglibose (V750000), an α-glucosidase inhibitor that works by delaying the digestion and absorption of carbohydrates, thereby inhibiting postprandial hyperglycemia and hyperinsulinemia.
Suppliers6 total
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Related reactions
2 records
Compound notes
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