4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole

C19H25Cl2NO2 — CID 5271173

IUPAC4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole
SMILESCCc1noc(CC)c1CCCCCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C19H25Cl2NO2/c1-3-17-14(18(4-2)24-22-17)10-7-5-6-8-13-23-19-15(20)11-9-12-16(19)21/h9,11-12H,3-8,10,13H2,1-2H3
InChIKeyUKGGRLVKFDGWMK-UHFFFAOYSA-N
MW370.32 g/mol
LogP6.29
Rot. Bonds10

About 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole

4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole (PubChem CID 5271173) has the molecular formula C19H25Cl2NO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole
PubChem CID5271173
Molecular FormulaC19H25Cl2NO2
Molecular Weight370.32 g/mol
Exact Mass369.13
IUPAC Name4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole
SMILESCCc1noc(CC)c1CCCCCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C19H25Cl2NO2/c1-3-17-14(18(4-2)24-22-17)10-7-5-6-8-13-23-19-15(20)11-9-12-16(19)21/h9,11-12H,3-8,10,13H2,1-2H3
InChIKeyUKGGRLVKFDGWMK-UHFFFAOYSA-N
XLogP6.29
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 56.29
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

5-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
CID 1788
Win 56291
CID 129539
Win 54954
CID 441048
5-{5-[2,6-Dichloro-4-(2-furanyl)phenoxy]pentyl}-3-methylisoxazole
CID 515426
Isoxazole, 5-(7-(2-chloro-4-methoxyphenoxy)heptyl)-3-methyl-
CID 5271184
Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-
CID 5271216
Isoxazole, 5-(6-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)hexyl)-3-methyl-
CID 5271217
Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 5271218
5-[(E)-5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pent-3-enyl]-3-methyl-1,2-oxazole
CID 11740544
4-[[3-(2,6-Dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]benzonitrile
CID 150979017
5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
CID 5289564
5-[(2,4-Dichlorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480809

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole?
The IUPAC name of 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole (CID 5271173) is 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole?
The canonical SMILES for 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole is CCc1noc(CC)c1CCCCCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole?
The InChIKey is UKGGRLVKFDGWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO2/c1-3-17-14(18(4-2)24-22-17)10-7-5-6-8-13-23-19-15(20)11-9-12-16(19)21/h9,11-12H,3-8,10,13H2,1-2H3.
What are the key properties of 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole?
4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole has a molecular weight of 370.32 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-dichlorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole is sourced from PubChem (CID 5271173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).