4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine

C20H18ClN5O4S2 — CID 4968850

IUPAC4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)o2)c1)N1CCOCC1
InChIInChI=1S/C20H18ClN5O4S2/c21-15-4-5-18-22-16(12-25(18)11-15)13-31-20-24-23-19(30-20)14-2-1-3-17(10-14)32(27,28)26-6-8-29-9-7-26/h1-5,10-12H,6-9,13H2
InChIKeyDYQQCBUTWRRNIV-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.35
Rot. Bonds6

About 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine

4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine (PubChem CID 4968850) has the molecular formula C20H18ClN5O4S2 and a molecular weight of 491.98 g/mol. Its IUPAC name is 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
PubChem CID4968850
Molecular FormulaC20H18ClN5O4S2
Molecular Weight491.98 g/mol
Exact Mass491.05
IUPAC Name4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)o2)c1)N1CCOCC1
InChIInChI=1S/C20H18ClN5O4S2/c21-15-4-5-18-22-16(12-25(18)11-15)13-31-20-24-23-19(30-20)14-2-1-3-17(10-14)32(27,28)26-6-8-29-9-7-26/h1-5,10-12H,6-9,13H2
InChIKeyDYQQCBUTWRRNIV-UHFFFAOYSA-N
XLogP3.35
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 30124548
4-[3-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
CID 4880490
N-cyclopropyl-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4648059
N-cyclohexyl-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4019760
2-phenyl-5-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2079865
1-(4-benzylpiperidin-1-yl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 4102827
N-(furan-2-ylmethyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2366701
4-[3-[5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
CID 40919693
2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 16564937
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804832
N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 41022854
(2S)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 41072001

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine (CID 4968850) is 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)o2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine?
The InChIKey is DYQQCBUTWRRNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4S2/c21-15-4-5-18-22-16(12-25(18)11-15)13-31-20-24-23-19(30-20)14-2-1-3-17(10-14)32(27,28)26-6-8-29-9-7-26/h1-5,10-12H,6-9,13H2.
What are the key properties of 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine?
4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine has a molecular weight of 491.98 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 4968850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).