4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol

C15H11Cl2NO2 — CID 12905786

IUPAC4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol
SMILESOC1(c2ccccc2)ON=C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C15H11Cl2NO2/c16-14(17)13(11-7-3-1-4-8-11)18-20-15(14,19)12-9-5-2-6-10-12/h1-10,19H
InChIKeyFTRQKNOKNVOAOI-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.44
Rot. Bonds2

About 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol

4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol (PubChem CID 12905786) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol
PubChem CID12905786
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol
SMILESOC1(c2ccccc2)ON=C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C15H11Cl2NO2/c16-14(17)13(11-7-3-1-4-8-11)18-20-15(14,19)12-9-5-2-6-10-12/h1-10,19H
InChIKeyFTRQKNOKNVOAOI-UHFFFAOYSA-N
XLogP3.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol?
The IUPAC name of 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol (CID 12905786) is 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol.
What is the SMILES notation for 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol?
The canonical SMILES for 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol is OC1(c2ccccc2)ON=C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol?
The InChIKey is FTRQKNOKNVOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-14(17)13(11-7-3-1-4-8-11)18-20-15(14,19)12-9-5-2-6-10-12/h1-10,19H.
What are the key properties of 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol?
4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol has a molecular weight of 308.16 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol is sourced from PubChem (CID 12905786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).