2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

C18H17FN2O4S — CID 7661375

IUPAC2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)c(OC)c1
InChIInChI=1S/C18H17FN2O4S/c1-22-12-5-6-13(16(9-12)24-3)17-20-21-18(25-17)26-10-11-4-7-15(23-2)14(19)8-11/h4-9H,10H2,1-3H3
InChIKeyGRRGKKQKFGZHPJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.19
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 7661375) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID7661375
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)c(OC)c1
InChIInChI=1S/C18H17FN2O4S/c1-22-12-5-6-13(16(9-12)24-3)17-20-21-18(25-17)26-10-11-4-7-15(23-2)14(19)8-11/h4-9H,10H2,1-3H3
InChIKeyGRRGKKQKFGZHPJ-UHFFFAOYSA-N
XLogP4.19
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluorobenzyl)thio]-1,3,4-oxadiazole
CID 44590237
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590238
Oxadiazole derivative, 20m
CID 44590379
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluoro-4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590954
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CID 706782
2-[5-(2,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 651718
Isopropyl {[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetate
CID 673462
2-(Benzylsulfanyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 811665
3-({[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}methyl)benzonitrile
CID 1280861
3-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
CID 6472748
4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44460136

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 7661375) is 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is GRRGKKQKFGZHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-22-12-5-6-13(16(9-12)24-3)17-20-21-18(25-17)26-10-11-4-7-15(23-2)14(19)8-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 376.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7661375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).