5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine

C18H17N5O4S — CID 70798408

IUPAC5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(S(=O)(=O)N5CCOCC5)n4c3)ccc2o1
InChIInChI=1S/C18H17N5O4S/c19-18-21-14-9-12(1-3-15(14)27-18)13-2-4-16-20-10-17(23(16)11-13)28(24,25)22-5-7-26-8-6-22/h1-4,9-11H,5-8H2,(H2,19,21)
InChIKeyKPSZIPUWXMSDCU-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.75
Rot. Bonds3

About 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine

5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 70798408) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID70798408
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(S(=O)(=O)N5CCOCC5)n4c3)ccc2o1
InChIInChI=1S/C18H17N5O4S/c19-18-21-14-9-12(1-3-15(14)27-18)13-2-4-16-20-10-17(23(16)11-13)28(24,25)22-5-7-26-8-6-22/h1-4,9-11H,5-8H2,(H2,19,21)
InChIKeyKPSZIPUWXMSDCU-UHFFFAOYSA-N
XLogP1.75
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine (CID 70798408) is 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(S(=O)(=O)N5CCOCC5)n4c3)ccc2o1.
What is the InChIKey of 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is KPSZIPUWXMSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c19-18-21-14-9-12(1-3-15(14)27-18)13-2-4-16-20-10-17(23(16)11-13)28(24,25)22-5-7-26-8-6-22/h1-4,9-11H,5-8H2,(H2,19,21).
What are the key properties of 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 399.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).