3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one

C17H19ClN2O3S — CID 135115850

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C17H19ClN2O3S/c18-15-11-12(23-19-15)1-2-16(21)20-7-5-17(6-8-20)13-4-10-24-14(13)3-9-22-17/h4,10-11H,1-3,5-9H2
InChIKeyFDGNHLJLTFIBHM-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.41
Rot. Bonds3

About 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 135115850) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one
PubChem CID135115850
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C17H19ClN2O3S/c18-15-11-12(23-19-15)1-2-16(21)20-7-5-17(6-8-20)13-4-10-24-14(13)3-9-22-17/h4,10-11H,1-3,5-9H2
InChIKeyFDGNHLJLTFIBHM-UHFFFAOYSA-N
XLogP3.41
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one (CID 135115850) is 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one is O=C(CCc1cc(Cl)no1)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is FDGNHLJLTFIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c18-15-11-12(23-19-15)1-2-16(21)20-7-5-17(6-8-20)13-4-10-24-14(13)3-9-22-17/h4,10-11H,1-3,5-9H2.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 366.87 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 135115850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).