4-Isopropyl-2-phenyl-2-oxazoline-5-one
Basic information
- CAS
5839-93-0- Standard SMILES
CC(C)C1N=C(c2ccccc2)OC1=O- InChIKey
KSSKJTXJMKNHPG-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 4-Isopropyl-2-phenyl-2-oxazoline-5-one
- IUPAC
- 2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
- English name
- 4-Isopropyl-2-phenyl-2-oxazoline-5-one
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
5839-93-04-Isopropyl-2-phenyl-2-oxazoline-5-one4-isopropyl-2-phenyloxazol-5(4H)-one2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one4-(1-Methylethyl)-2-phenyl-5(4H)-oxazoloneMFCD00563233NSC 364043NSC364043Oprea1_311556SCHEMBL8138450DTXSID50320765AKOS003001732
Show more names
5(4H)-Oxazolone, 4-(1-methylethyl)-2-phenyl-
AKOS016193780AC-6421NSC-3640434-isopropyl-2-phenyl-4H-oxazol-5-oneAS-495894-iso-Propyl-2-phenyl-2-oxazoline-5-oneDB-053201CS-0171942
Database identifiers
- CAS
5839-93-0- PubChem CID
- 339098
- DTXSID
DTXSID50320765- Nikkaji
- J687.629C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 41 · 41-45 °C
- Boiling point
- 281.9 · 281.9±23.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 2.5 · 2.50±0.40(Predicted)
- Appearance
- white powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Compound notes
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