4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol

C10H9Cl2NO2 — CID 12905773

IUPAC4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C10H9Cl2NO2/c1-9(14)10(11,12)8(13-15-9)7-5-3-2-4-6-7/h2-6,14H,1H3
InChIKeyFWJINTBETLDXNU-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.30
Rot. Bonds1

About 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol

4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol (PubChem CID 12905773) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
PubChem CID12905773
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C10H9Cl2NO2/c1-9(14)10(11,12)8(13-15-9)7-5-3-2-4-6-7/h2-6,14H,1H3
InChIKeyFWJINTBETLDXNU-UHFFFAOYSA-N
XLogP2.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol
CID 12905786
4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole
CID 125114444
(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol
CID 642745
(4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol
CID 15197117
2-methyl-2,3-diphenylazirine
CID 13307627
5-(chloromethyl)-5-methyl-3-phenyl-4H-1,2-oxazole
CID 12533400
5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
CID 102265993
4-methyl-2,4,5-triphenylimidazole
CID 143115267
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
2,2,5,5-tetramethyl-6-phenylpyridine
CID 58983184

Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol?
The IUPAC name of 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol (CID 12905773) is 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol.
What is the SMILES notation for 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol?
The canonical SMILES for 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol is CC1(O)ON=C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol?
The InChIKey is FWJINTBETLDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-9(14)10(11,12)8(13-15-9)7-5-3-2-4-6-7/h2-6,14H,1H3.
What are the key properties of 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol?
4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol has a molecular weight of 246.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol is sourced from PubChem (CID 12905773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).