[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C19H25N3O4S — CID 126444514

About [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 126444514) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 126444514
• Molecular Formula: C19H25N3O4S
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.16
• IUPAC Name: [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
• SMILES: Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@](O)(CO)C3)csc2C1
• InChI: InChI=1S/C19H25N3O4S/c1-12-15(13(2)26-20-12)7-21-5-3-14-16(9-27-17(14)8-21)18(24)22-6-4-19(25,10-22)11-23/h9,23,25H,3-8,10-11H2,1-2H3/t19-/m1/s1
• InChIKey: RYIGBYWHNHQQKH-LJQANCHMSA-N
• XLogP: 1.48
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.49
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?

The IUPAC name of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 126444514) is [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@](O)(CO)C3)csc2C1.

What is the InChIKey of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?

The InChIKey is RYIGBYWHNHQQKH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-15(13(2)26-20-12)7-21-5-3-14-16(9-27-17(14)8-21)18(24)22-6-4-19(25,10-22)11-23/h9,23,25H,3-8,10-11H2,1-2H3/t19-/m1/s1.

What are the key properties of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 391.49 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126444514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).