6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one

C24H24N4O3S — CID 125011996

About 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one

6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 125011996) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
• PubChem CID: 125011996
• Molecular Formula: C24H24N4O3S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.16
• IUPAC Name: 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
• SMILES: Cc1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)sc2ncn(C)c(=O)c12
• InChI: InChI=1S/C24H24N4O3S/c1-15-19-22(26-14-27(2)23(19)29)32-20(15)24(30)28-11-7-6-10-18(28)21-25-13-17(31-21)12-16-8-4-3-5-9-16/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3/t18-/m1/s1
• InChIKey: VUKUHHXQOHKQHI-GOSISDBHSA-N
• XLogP: 4.25
• TPSA: 81.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one (CID 125011996) is 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)sc2ncn(C)c(=O)c12.

What is the InChIKey of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one?

The InChIKey is VUKUHHXQOHKQHI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-15-19-22(26-14-27(2)23(19)29)32-20(15)24(30)28-11-7-6-10-18(28)21-25-13-17(31-21)12-16-8-4-3-5-9-16/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3/t18-/m1/s1.

What are the key properties of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one?

6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 448.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 125011996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).