4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C22H15Cl2F2NO2 — CID 15007982

IUPAC4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CO1
InChIInChI=1S/C22H15Cl2F2NO2/c23-15-7-4-14(17(24)10-15)11-28-16-8-5-13(6-9-16)20-12-29-22(27-20)21-18(25)2-1-3-19(21)26/h1-10,20H,11-12H2
InChIKeyKBPOPCROISMMMB-UHFFFAOYSA-N
MW434.27 g/mol
LogP6.37
Rot. Bonds5

About 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15007982) has the molecular formula C22H15Cl2F2NO2 and a molecular weight of 434.27 g/mol. Its IUPAC name is 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15007982
Molecular FormulaC22H15Cl2F2NO2
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC Name4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CO1
InChIInChI=1S/C22H15Cl2F2NO2/c23-15-7-4-14(17(24)10-15)11-28-16-8-5-13(6-9-16)20-12-29-22(27-20)21-18(25)2-1-3-19(21)26/h1-10,20H,11-12H2
InChIKeyKBPOPCROISMMMB-UHFFFAOYSA-N
XLogP6.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.27
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 15007982) is 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CO1.
What is the InChIKey of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KBPOPCROISMMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2NO2/c23-15-7-4-14(17(24)10-15)11-28-16-8-5-13(6-9-16)20-12-29-22(27-20)21-18(25)2-1-3-19(21)26/h1-10,20H,11-12H2.
What are the key properties of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 434.27 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).