4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C10H6Cl2F3NO — CID 123539341

IUPAC4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C1ON=CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H6Cl2F3NO/c11-6-1-5(2-7(12)3-6)8-4-16-17-9(8)10(13,14)15/h1-4,8-9H
InChIKeyPUUYARDSBHAISP-UHFFFAOYSA-N
MW284.06 g/mol
LogP4.02
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 123539341) has the molecular formula C10H6Cl2F3NO and a molecular weight of 284.06 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID123539341
Molecular FormulaC10H6Cl2F3NO
Molecular Weight284.06 g/mol
Exact Mass282.98
IUPAC Name4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C1ON=CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H6Cl2F3NO/c11-6-1-5(2-7(12)3-6)8-4-16-17-9(8)10(13,14)15/h1-4,8-9H
InChIKeyPUUYARDSBHAISP-UHFFFAOYSA-N
XLogP4.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 123539341) is 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is FC(F)(F)C1ON=CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is PUUYARDSBHAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3NO/c11-6-1-5(2-7(12)3-6)8-4-16-17-9(8)10(13,14)15/h1-4,8-9H.
What are the key properties of 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 284.06 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123539341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).