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

C22H22N2O3S — CID 170511751

IUPAC(3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCc2cc(-c4ccccc4)sc23)on1
InChIInChI=1S/C22H22N2O3S/c1-15-13-18(27-23-15)21(25)24-10-8-22(9-11-24)20-17(7-12-26-22)14-19(28-20)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3
InChIKeyMVEPDGNYADIZSY-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.42
Rot. Bonds2

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

(3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (PubChem CID 170511751) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
PubChem CID170511751
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCc2cc(-c4ccccc4)sc23)on1
InChIInChI=1S/C22H22N2O3S/c1-15-13-18(27-23-15)21(25)24-10-8-22(9-11-24)20-17(7-12-26-22)14-19(28-20)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3
InChIKeyMVEPDGNYADIZSY-UHFFFAOYSA-N
XLogP4.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxycyclobutyl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512368
[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170510703
[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone
CID 155496253
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512633
1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one
CID 170507477
(1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170509082
1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one
CID 170508089
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170504592
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propan-1-one;dihydrochloride
CID 171710121
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 170503122
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (CID 170511751) is (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)OCCc2cc(-c4ccccc4)sc23)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is MVEPDGNYADIZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-13-18(27-23-15)21(25)24-10-8-22(9-11-24)20-17(7-12-26-22)14-19(28-20)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
(3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 394.50 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 170511751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).