2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole

C21H19Cl4NO3 — CID 146485120

IUPAC2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole
SMILESC[C@H](Cc1ccc(OCc2coc(Cl)n2)cc1)c1cc(Cl)c(OCCCl)c(Cl)c1
InChIInChI=1S/C21H19Cl4NO3/c1-13(15-9-18(23)20(19(24)10-15)27-7-6-22)8-14-2-4-17(5-3-14)28-11-16-12-29-21(25)26-16/h2-5,9-10,12-13H,6-8,11H2,1H3/t13-/m1/s1
InChIKeyODHXNEFLIJGXKT-CYBMUJFWSA-N
MW475.20 g/mol
LogP7.18
Rot. Bonds9

About 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole

2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole (PubChem CID 146485120) has the molecular formula C21H19Cl4NO3 and a molecular weight of 475.20 g/mol. Its IUPAC name is 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole
PubChem CID146485120
Molecular FormulaC21H19Cl4NO3
Molecular Weight475.20 g/mol
Exact Mass473.01
IUPAC Name2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole
SMILESC[C@H](Cc1ccc(OCc2coc(Cl)n2)cc1)c1cc(Cl)c(OCCCl)c(Cl)c1
InChIInChI=1S/C21H19Cl4NO3/c1-13(15-9-18(23)20(19(24)10-15)27-7-6-22)8-14-2-4-17(5-3-14)28-11-16-12-29-21(25)26-16/h2-5,9-10,12-13H,6-8,11H2,1H3/t13-/m1/s1
InChIKeyODHXNEFLIJGXKT-CYBMUJFWSA-N
XLogP7.18
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.20
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-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 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole (CID 146485120) is 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole is C[C@H](Cc1ccc(OCc2coc(Cl)n2)cc1)c1cc(Cl)c(OCCCl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole?
The InChIKey is ODHXNEFLIJGXKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19Cl4NO3/c1-13(15-9-18(23)20(19(24)10-15)27-7-6-22)8-14-2-4-17(5-3-14)28-11-16-12-29-21(25)26-16/h2-5,9-10,12-13H,6-8,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole?
2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole has a molecular weight of 475.20 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 146485120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).