5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

C19H12Cl2N2O2S — CID 2745519

IUPAC5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESClc1cc(Cl)cc(OCc2nc(-c3cc(-c4ccccc4)no3)cs2)c1
InChIInChI=1S/C19H12Cl2N2O2S/c20-13-6-14(21)8-15(7-13)24-10-19-22-17(11-26-19)18-9-16(23-25-18)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyQBJXPZYNKZQMMW-UHFFFAOYSA-N
MW403.29 g/mol
LogP6.35
Rot. Bonds5

About 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (PubChem CID 2745519) has the molecular formula C19H12Cl2N2O2S and a molecular weight of 403.29 g/mol. Its IUPAC name is 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
PubChem CID2745519
Molecular FormulaC19H12Cl2N2O2S
Molecular Weight403.29 g/mol
Exact Mass402.00
IUPAC Name5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESClc1cc(Cl)cc(OCc2nc(-c3cc(-c4ccccc4)no3)cs2)c1
InChIInChI=1S/C19H12Cl2N2O2S/c20-13-6-14(21)8-15(7-13)24-10-19-22-17(11-26-19)18-9-16(23-25-18)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyQBJXPZYNKZQMMW-UHFFFAOYSA-N
XLogP6.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
CID 1471881
5-Methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenylisoxazole
CID 2745588
3-(2,4-Dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745631
5-[5-[2,6-Dichloro-4-(4,5-dimethylthiazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515421
4-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 2747347
1-[2-Chloro-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57393068
3-(2,4-Dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745559
N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)isoxazol-5-yl]thiazol-2-amine
CID 134816946
5-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
CID 2738225
Ethyl 4-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
CID 2744698
Ethyl 5-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole-4-carboxylate
CID 2745407
5-[2-[(3-Chlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-(3,4-dimethylphenyl)-1,2-oxazole
CID 2745584

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (CID 2745519) is 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is Clc1cc(Cl)cc(OCc2nc(-c3cc(-c4ccccc4)no3)cs2)c1.
What is the InChIKey of 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The InChIKey is QBJXPZYNKZQMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S/c20-13-6-14(21)8-15(7-13)24-10-19-22-17(11-26-19)18-9-16(23-25-18)12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole has a molecular weight of 403.29 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2745519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).