Basic information
- CAS
635702-24-8- Standard SMILES
CC(C)Cc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1- InChIKey
LUDWKXNPIKBIAB-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247788
Names & identifiers
- Preferred name
- [4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
- IUPAC
- [4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
- English name
- (4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)methanol
- Molecular formula
- C19H20N2O2
- Molecular weight
- 308.37
Names & synonyms
635702-24-8[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)methanol{4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methanol(4-{5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methanolSCHEMBL449651LUDWKXNPIKBIAB-UHFFFAOYSA-NDTXSID201159054DB-073350{4-[5-(4-Isobutyl-phenyl)-[1,2,4]oxadiazol-3-yl]-phenyl}-methanol4-(5-(4-(2-methylpropyl)phenyl)-1,2,4-oxadiazol-3-yl)phenylmethanol4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenemethanol
Show more names
BenzeneMethanol, 4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-
Database identifiers
- CAS
635702-24-8- PubChem CID
- 11645224
- DTXSID
DTXSID201159054
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 479.9 · 479.9±55.0 °C(Predicted)
- Density
- 1.145 · 1.145
- pka
- 13 · 13+-.0.10(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
17 records
Compound notes
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