2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole

C22H23Cl2NO2 — CID 10938322

IUPAC2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole
SMILESCc1ccccc1OCCCCCCc1oc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23Cl2NO2/c1-16-8-5-6-9-19(16)26-15-7-3-2-4-10-20-21(25-22(24)27-20)17-11-13-18(23)14-12-17/h5-6,8-9,11-14H,2-4,7,10,15H2,1H3
InChIKeyACMJAJUOPDBSGF-UHFFFAOYSA-N
MW404.34 g/mol
LogP7.14
Rot. Bonds9

About 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole

2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole (PubChem CID 10938322) has the molecular formula C22H23Cl2NO2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole
PubChem CID10938322
Molecular FormulaC22H23Cl2NO2
Molecular Weight404.34 g/mol
Exact Mass403.11
IUPAC Name2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole
SMILESCc1ccccc1OCCCCCCc1oc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23Cl2NO2/c1-16-8-5-6-9-19(16)26-15-7-3-2-4-10-20-21(25-22(24)27-20)17-11-13-18(23)14-12-17/h5-6,8-9,11-14H,2-4,7,10,15H2,1H3
InChIKeyACMJAJUOPDBSGF-UHFFFAOYSA-N
XLogP7.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole
CID 11729789
2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
CID 11003753
2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
CID 11111224
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride
CID 23431810
4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole
CID 18174764
ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
CID 11099941
4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole
CID 70113738
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(3-phenoxypropyl)-1,3-oxazole
CID 11731968
1-methyl-2-pentadecoxybenzene
CID 154641785
ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
CID 18174694
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole
CID 91583402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole (CID 10938322) is 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole is Cc1ccccc1OCCCCCCc1oc(Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole?
The InChIKey is ACMJAJUOPDBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO2/c1-16-8-5-6-9-19(16)26-15-7-3-2-4-10-20-21(25-22(24)27-20)17-11-13-18(23)14-12-17/h5-6,8-9,11-14H,2-4,7,10,15H2,1H3.
What are the key properties of 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole?
2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole has a molecular weight of 404.34 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole is sourced from PubChem (CID 10938322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).