morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone

C19H23N3O4S — CID 169418134

IUPACmorpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
SMILESO=C(c1cc2c(s1)C1(CCN(c3ncco3)CC1)OCC2)N1CCOCC1
InChIInChI=1S/C19H23N3O4S/c23-17(21-7-11-24-12-8-21)15-13-14-1-9-26-19(16(14)27-15)2-5-22(6-3-19)18-20-4-10-25-18/h4,10,13H,1-3,5-9,11-12H2
InChIKeyOWOXHKSRTZYKSW-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.28
Rot. Bonds2

About morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone

morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone (PubChem CID 169418134) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
PubChem CID169418134
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Namemorpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
SMILESO=C(c1cc2c(s1)C1(CCN(c3ncco3)CC1)OCC2)N1CCOCC1
InChIInChI=1S/C19H23N3O4S/c23-17(21-7-11-24-12-8-21)15-13-14-1-9-26-19(16(14)27-15)2-5-22(6-3-19)18-20-4-10-25-18/h4,10,13H,1-3,5-9,11-12H2
InChIKeyOWOXHKSRTZYKSW-UHFFFAOYSA-N
XLogP2.28
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone (CID 169418134) is morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone is O=C(c1cc2c(s1)C1(CCN(c3ncco3)CC1)OCC2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone?
The InChIKey is OWOXHKSRTZYKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-17(21-7-11-24-12-8-21)15-13-14-1-9-26-19(16(14)27-15)2-5-22(6-3-19)18-20-4-10-25-18/h4,10,13H,1-3,5-9,11-12H2.
What are the key properties of morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone?
morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone has a molecular weight of 389.48 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone is sourced from PubChem (CID 169418134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).