4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole

C16H12Cl3NO — CID 164678494

IUPAC4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
SMILESClC(Cl)(Cl)C1=NC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C16H12Cl3NO/c17-16(18,19)15-20-13(11-7-3-1-4-8-11)14(21-15)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyCDEDGJWJNMTSQT-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.27
Rot. Bonds2

About 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole

4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 164678494) has the molecular formula C16H12Cl3NO and a molecular weight of 340.64 g/mol. Its IUPAC name is 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID164678494
Molecular FormulaC16H12Cl3NO
Molecular Weight340.64 g/mol
Exact Mass339.00
IUPAC Name4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
SMILESClC(Cl)(Cl)C1=NC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C16H12Cl3NO/c17-16(18,19)15-20-13(11-7-3-1-4-8-11)14(21-15)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyCDEDGJWJNMTSQT-UHFFFAOYSA-N
XLogP5.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
2-(2,6-Difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853217
2-(2-Iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853168
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
(4R)-4,5-Dihydro-2-(4-methylphenyl)-4-phenyloxazole
CID 44414834
2-(2-Fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414846
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
Iqagkpdfdjlird-uhfffaoysa-
CID 3732905

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole (CID 164678494) is 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole is ClC(Cl)(Cl)C1=NC(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CDEDGJWJNMTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO/c17-16(18,19)15-20-13(11-7-3-1-4-8-11)14(21-15)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 340.64 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164678494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).