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

C10H8Cl3NO — CID 162414956

IUPAC4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
SMILESClC(Cl)(Cl)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C10H8Cl3NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyXKOPYLZTVZWNQH-UHFFFAOYSA-N
MW264.54 g/mol
LogP3.53
Rot. Bonds1

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

4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 162414956) has the molecular formula C10H8Cl3NO and a molecular weight of 264.54 g/mol. Its IUPAC name is 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID162414956
Molecular FormulaC10H8Cl3NO
Molecular Weight264.54 g/mol
Exact Mass262.97
IUPAC Name4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
SMILESClC(Cl)(Cl)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C10H8Cl3NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyXKOPYLZTVZWNQH-UHFFFAOYSA-N
XLogP3.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole (CID 162414956) is 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole is ClC(Cl)(Cl)C1=NC(c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XKOPYLZTVZWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole?
4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 264.54 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 162414956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).