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

C17H22N2O2S — CID 169137654

IUPAC2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCNC(c2cc(C)on2)C1
InChIInChI=1S/C17H22N2O2S/c1-3-12-9-13-16(22-12)4-7-20-17(13)5-6-18-15(10-17)14-8-11(2)21-19-14/h8-9,15,18H,3-7,10H2,1-2H3
InChIKeyIYTPXGYPGBZARX-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.50
Rot. Bonds2

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

2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 169137654) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID169137654
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCNC(c2cc(C)on2)C1
InChIInChI=1S/C17H22N2O2S/c1-3-12-9-13-16(22-12)4-7-20-17(13)5-6-18-15(10-17)14-8-11(2)21-19-14/h8-9,15,18H,3-7,10H2,1-2H3
InChIKeyIYTPXGYPGBZARX-UHFFFAOYSA-N
XLogP3.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 169137654) is 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCc1cc2c(s1)CCOC21CCNC(c2cc(C)on2)C1.
What is the InChIKey of 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is IYTPXGYPGBZARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-12-9-13-16(22-12)4-7-20-17(13)5-6-18-15(10-17)14-8-11(2)21-19-14/h8-9,15,18H,3-7,10H2,1-2H3.
What are the key properties of 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 318.44 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2'-(5-methyl-1,2-oxazol-3-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 169137654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).