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

C15H17ClN2O2S — CID 164725872

IUPAC2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC1CC2(CC(c3ccon3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C15H17ClN2O2S/c1-9-7-15(8-12(17-9)11-3-5-20-18-11)14-10(2-4-19-15)6-13(16)21-14/h3,5-6,9,12,17H,2,4,7-8H2,1H3
InChIKeyLUMBHVBIZFCBSQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.67
Rot. Bonds1

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

2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725872) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725872
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC1CC2(CC(c3ccon3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C15H17ClN2O2S/c1-9-7-15(8-12(17-9)11-3-5-20-18-11)14-10(2-4-19-15)6-13(16)21-14/h3,5-6,9,12,17H,2,4,7-8H2,1H3
InChIKeyLUMBHVBIZFCBSQ-UHFFFAOYSA-N
XLogP3.67
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725872) is 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CC1CC2(CC(c3ccon3)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is LUMBHVBIZFCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-7-15(8-12(17-9)11-3-5-20-18-11)14-10(2-4-19-15)6-13(16)21-14/h3,5-6,9,12,17H,2,4,7-8H2,1H3.
What are the key properties of 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 324.83 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2'-methyl-6'-(1,2-oxazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).