4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C15H9Cl2F2NO — CID 14853281

IUPAC4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C15H9Cl2F2NO/c16-9-5-4-8(6-10(9)17)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2
InChIKeyFQFACTHEHZWAGD-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.79
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853281) has the molecular formula C15H9Cl2F2NO and a molecular weight of 328.15 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853281
Molecular FormulaC15H9Cl2F2NO
Molecular Weight328.15 g/mol
Exact Mass327.00
IUPAC Name4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C15H9Cl2F2NO/c16-9-5-4-8(6-10(9)17)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2
InChIKeyFQFACTHEHZWAGD-UHFFFAOYSA-N
XLogP4.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853281) is 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(Cl)c(Cl)c2)CO1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is FQFACTHEHZWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2NO/c16-9-5-4-8(6-10(9)17)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2.
What are the key properties of 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 328.15 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).