1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C19H21N5O3S — CID 169417775

About 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 169417775) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

• Compound Name: 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
• PubChem CID: 169417775
• Molecular Formula: C19H21N5O3S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.14
• IUPAC Name: 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
• SMILES: O=C(NCc1ccn[nH]1)c1cc2c(s1)C1(CCN(c3ncco3)CC1)OCC2
• InChI: InChI=1S/C19H21N5O3S/c25-17(21-12-14-1-5-22-23-14)15-11-13-2-9-27-19(16(13)28-15)3-7-24(8-4-19)18-20-6-10-26-18/h1,5-6,10-11H,2-4,7-9,12H2,(H,21,25)(H,22,23)
• InChIKey: IJYPGMUQSMZNJE-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?

The IUPAC name of 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 169417775) is 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

What is the SMILES notation for 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?

The canonical SMILES for 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is O=C(NCc1ccn[nH]1)c1cc2c(s1)C1(CCN(c3ncco3)CC1)OCC2.

What is the InChIKey of 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?

The InChIKey is IJYPGMUQSMZNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c25-17(21-12-14-1-5-22-23-14)15-11-13-2-9-27-19(16(13)28-15)3-7-24(8-4-19)18-20-6-10-26-18/h1,5-6,10-11H,2-4,7-9,12H2,(H,21,25)(H,22,23).

What are the key properties of 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?

1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 169417775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).