2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C17H22N2O2S — CID 169139594

IUPAC2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2ccon2)CC1
InChIInChI=1S/C17H22N2O2S/c1-2-14-11-15-16(22-14)4-9-20-17(15)5-7-19(8-6-17)12-13-3-10-21-18-13/h3,10-11H,2,4-9,12H2,1H3
InChIKeyMBEVEHWNXLDMIO-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.36
Rot. Bonds3

About 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 169139594) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID169139594
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2ccon2)CC1
InChIInChI=1S/C17H22N2O2S/c1-2-14-11-15-16(22-14)4-9-20-17(15)5-7-19(8-6-17)12-13-3-10-21-18-13/h3,10-11H,2,4-9,12H2,1H3
InChIKeyMBEVEHWNXLDMIO-UHFFFAOYSA-N
XLogP3.36
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 169139594) is 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCc1cc2c(s1)CCOC21CCN(Cc2ccon2)CC1.
What is the InChIKey of 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is MBEVEHWNXLDMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-14-11-15-16(22-14)4-9-20-17(15)5-7-19(8-6-17)12-13-3-10-21-18-13/h3,10-11H,2,4-9,12H2,1H3.
What are the key properties of 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 318.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1'-(1,2-oxazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 169139594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).