5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole

C16H19BrN4O3S — CID 47062178

IUPAC5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole
SMILESCC(c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1cn2cc(Br)ccc2n1
InChIInChI=1S/C16H19BrN4O3S/c1-10(14-19-15(20-24-14)16(2,3)4)25(22,23)9-12-8-21-7-11(17)5-6-13(21)18-12/h5-8,10H,9H2,1-4H3
InChIKeyWWWCYPVEBVSLAF-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.45
Rot. Bonds4

About 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole

5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole (PubChem CID 47062178) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole
PubChem CID47062178
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole
SMILESCC(c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1cn2cc(Br)ccc2n1
InChIInChI=1S/C16H19BrN4O3S/c1-10(14-19-15(20-24-14)16(2,3)4)25(22,23)9-12-8-21-7-11(17)5-6-13(21)18-12/h5-8,10H,9H2,1-4H3
InChIKeyWWWCYPVEBVSLAF-UHFFFAOYSA-N
XLogP3.45
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole (CID 47062178) is 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole is CC(c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1cn2cc(Br)ccc2n1.
What is the InChIKey of 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole?
The InChIKey is WWWCYPVEBVSLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c1-10(14-19-15(20-24-14)16(2,3)4)25(22,23)9-12-8-21-7-11(17)5-6-13(21)18-12/h5-8,10H,9H2,1-4H3.
What are the key properties of 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole?
5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole has a molecular weight of 427.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 47062178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).