4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C22H15Cl2F2NO2 — CID 15279926

IUPAC4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(COc2ccc(-c3ccc(Cl)cc3)cc2Cl)CO1
InChIInChI=1S/C22H15Cl2F2NO2/c23-15-7-4-13(5-8-15)14-6-9-20(17(24)10-14)28-11-16-12-29-22(27-16)21-18(25)2-1-3-19(21)26/h1-10,16H,11-12H2
InChIKeyMQCLRZQDJCQKBL-UHFFFAOYSA-N
MW434.27 g/mol
LogP6.16
Rot. Bonds5

About 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15279926) has the molecular formula C22H15Cl2F2NO2 and a molecular weight of 434.27 g/mol. Its IUPAC name is 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15279926
Molecular FormulaC22H15Cl2F2NO2
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC Name4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(COc2ccc(-c3ccc(Cl)cc3)cc2Cl)CO1
InChIInChI=1S/C22H15Cl2F2NO2/c23-15-7-4-13(5-8-15)14-6-9-20(17(24)10-14)28-11-16-12-29-22(27-16)21-18(25)2-1-3-19(21)26/h1-10,16H,11-12H2
InChIKeyMQCLRZQDJCQKBL-UHFFFAOYSA-N
XLogP6.16
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 ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 15279926) is 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(COc2ccc(-c3ccc(Cl)cc3)cc2Cl)CO1.
What is the InChIKey of 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is MQCLRZQDJCQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2NO2/c23-15-7-4-13(5-8-15)14-6-9-20(17(24)10-14)28-11-16-12-29-22(27-16)21-18(25)2-1-3-19(21)26/h1-10,16H,11-12H2.
What are the key properties of 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 434.27 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15279926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).