5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

C18H18Cl2N2O2S — CID 15954772

IUPAC5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3nccs3)cc2Cl)on1
InChIInChI=1S/C18H18Cl2N2O2S/c1-12-9-14(24-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-25-18/h6,8-11H,2-5,7H2,1H3
InChIKeyYXWDGSVHEVLTFS-UHFFFAOYSA-N
MW397.33 g/mol
LogP6.21
Rot. Bonds8

About 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 15954772) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID15954772
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC Name5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3nccs3)cc2Cl)on1
InChIInChI=1S/C18H18Cl2N2O2S/c1-12-9-14(24-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-25-18/h6,8-11H,2-5,7H2,1H3
InChIKeyYXWDGSVHEVLTFS-UHFFFAOYSA-N
XLogP6.21
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.33
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[2,6-Dichloro-4-(4,5-dimethylthiazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515421
5-[5-[2,6-Dichloro-4-(2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515432
5-[5-[2,6-Dichloro-4-(1-methylpyrrol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515430
3-Methyl-5-{5-[4-(2-thiazolyl)phenoxy]pentyl}isoxazole
CID 6483424
Benzothiazole, 2-[3,5-dichloro-4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]phenyl]-
CID 15954771
5-[5-[2,6-Dichloro-4-(3-methyl-2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954778
4-[3-[2-(2-Chloro-4-methylphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]pentan-2-one
CID 160108656
2-(2,6-Dichlorophenoxy)ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751709
(2-Chloro-4-pyridin-3-ylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 145901508
3-(4-Methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
CID 146155855

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 15954772) is 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(Cl)cc(-c3nccs3)cc2Cl)on1.
What is the InChIKey of 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is YXWDGSVHEVLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c1-12-9-14(24-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-25-18/h6,8-11H,2-5,7H2,1H3.
What are the key properties of 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 397.33 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2,6-dichloro-4-(1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 15954772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).