2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole

C20H17N3O4S — CID 55602692

IUPAC2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nc(COc3nnc(-c4ccccc4)o3)cs2)c1OC
InChIInChI=1S/C20H17N3O4S/c1-24-16-10-6-9-15(17(16)25-2)19-21-14(12-28-19)11-26-20-23-22-18(27-20)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKeySNHVPQPFZLNTPT-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.46
Rot. Bonds7

About 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole

2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole (PubChem CID 55602692) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole
PubChem CID55602692
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nc(COc3nnc(-c4ccccc4)o3)cs2)c1OC
InChIInChI=1S/C20H17N3O4S/c1-24-16-10-6-9-15(17(16)25-2)19-21-14(12-28-19)11-26-20-23-22-18(27-20)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKeySNHVPQPFZLNTPT-UHFFFAOYSA-N
XLogP4.46
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 7431881
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485
4-[(4-bromo-2-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 27352237
N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 99819030
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole (CID 55602692) is 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole is COc1cccc(-c2nc(COc3nnc(-c4ccccc4)o3)cs2)c1OC.
What is the InChIKey of 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SNHVPQPFZLNTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-24-16-10-6-9-15(17(16)25-2)19-21-14(12-28-19)11-26-20-23-22-18(27-20)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole?
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 395.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 55602692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).