2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

C19H18N4O3S — CID 4804896

IUPAC2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)c1
InChIInChI=1S/C19H18N4O3S/c1-12-5-4-6-23-10-14(20-17(12)23)11-27-19-22-21-18(26-19)13-7-15(24-2)9-16(8-13)25-3/h4-10H,11H2,1-3H3
InChIKeyMHBYNEAUSBHPTL-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.00
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 4804896) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID4804896
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)c1
InChIInChI=1S/C19H18N4O3S/c1-12-5-4-6-23-10-14(20-17(12)23)11-27-19-22-21-18(26-19)13-7-15(24-2)9-16(8-13)25-3/h4-10H,11H2,1-3H3
InChIKeyMHBYNEAUSBHPTL-UHFFFAOYSA-N
XLogP4.00
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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2-(3,5-dimethoxyphenyl)-5-[3-(2-methylphenoxy)propylsulfanyl]-1,3,4-oxadiazole
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2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 39526958
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
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2-(2,2-dimethoxyethylsulfanyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 86806278
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 78762664
2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4794491
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
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2-(3,5-dimethoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7683400
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 4804896) is 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole is COc1cc(OC)cc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is MHBYNEAUSBHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-5-4-6-23-10-14(20-17(12)23)11-27-19-22-21-18(26-19)13-7-15(24-2)9-16(8-13)25-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 382.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4804896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).