methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

C19H15ClN4O3S — CID 163297322

IUPACmethyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
SMILESCOC(=O)c1ccc(CSc2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)cc1
InChIInChI=1S/C19H15ClN4O3S/c1-11-16(24-9-14(20)7-8-15(24)21-11)17-22-23-19(27-17)28-10-12-3-5-13(6-4-12)18(25)26-2/h3-9H,10H2,1-2H3
InChIKeyOVIXWGOXJMTILU-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.43
Rot. Bonds5

About methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate (PubChem CID 163297322) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
PubChem CID163297322
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Namemethyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
SMILESCOC(=O)c1ccc(CSc2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)cc1
InChIInChI=1S/C19H15ClN4O3S/c1-11-16(24-9-14(20)7-8-15(24)21-11)17-22-23-19(27-17)28-10-12-3-5-13(6-4-12)18(25)26-2/h3-9H,10H2,1-2H3
InChIKeyOVIXWGOXJMTILU-UHFFFAOYSA-N
XLogP4.43
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate with MolForge

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
CID 163297391
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-ethylsulfanyl-1,3,4-oxadiazole
CID 163297350
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 163297290
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 163297395
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 163297321
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 99962961
methyl 4-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 135550309
methyl 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 5125290
1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
CID 11840792
methyl 4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 38842983
2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 855861
methyl 4-[[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate
CID 7418287

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
The IUPAC name of methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate (CID 163297322) is methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate.
What is the SMILES notation for methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
The canonical SMILES for methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate is COC(=O)c1ccc(CSc2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)cc1.
What is the InChIKey of methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
The InChIKey is OVIXWGOXJMTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-11-16(24-9-14(20)7-8-15(24)21-11)17-22-23-19(27-17)28-10-12-3-5-13(6-4-12)18(25)26-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate?
methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate has a molecular weight of 414.87 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate is sourced from PubChem (CID 163297322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).