(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone

C18H24N4O5S — CID 75473924

IUPAC(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
SMILESCCc1noc2ncc(C(=O)N3CCCC(S(=O)(=O)N4CCOCC4)C3)cc12
InChIInChI=1S/C18H24N4O5S/c1-2-16-15-10-13(11-19-17(15)27-20-16)18(23)21-5-3-4-14(12-21)28(24,25)22-6-8-26-9-7-22/h10-11,14H,2-9,12H2,1H3
InChIKeyCSCQCNCYFXCGHL-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.05
Rot. Bonds4

About (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 75473924) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
PubChem CID75473924
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
SMILESCCc1noc2ncc(C(=O)N3CCCC(S(=O)(=O)N4CCOCC4)C3)cc12
InChIInChI=1S/C18H24N4O5S/c1-2-16-15-10-13(11-19-17(15)27-20-16)18(23)21-5-3-4-14(12-21)28(24,25)22-6-8-26-9-7-22/h10-11,14H,2-9,12H2,1H3
InChIKeyCSCQCNCYFXCGHL-UHFFFAOYSA-N
XLogP1.05
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone (CID 75473924) is (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone is CCc1noc2ncc(C(=O)N3CCCC(S(=O)(=O)N4CCOCC4)C3)cc12.
What is the InChIKey of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is CSCQCNCYFXCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-2-16-15-10-13(11-19-17(15)27-20-16)18(23)21-5-3-4-14(12-21)28(24,25)22-6-8-26-9-7-22/h10-11,14H,2-9,12H2,1H3.
What are the key properties of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 408.48 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 75473924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).