5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one

C16H16N6O3S — CID 97143712

About 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one

5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 97143712) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
• PubChem CID: 97143712
• Molecular Formula: C16H16N6O3S
• Molecular Weight: 372.41 g/mol
• Exact Mass: 372.10
• IUPAC Name: 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
• SMILES: Cc1nc(-c2ncc(C(=O)N3CCC[C@@H]3c3nonc3C)c(=O)[nH]2)cs1
• InChI: InChI=1S/C16H16N6O3S/c1-8-13(21-25-20-8)12-4-3-5-22(12)16(24)10-6-17-14(19-15(10)23)11-7-26-9(2)18-11/h6-7,12H,3-5H2,1-2H3,(H,17,19,23)/t12-/m1/s1
• InChIKey: PFWSVCGVXJOESI-GFCCVEGCSA-N
• XLogP: 1.87
• TPSA: 117.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.41
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?

The IUPAC name of 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one (CID 97143712) is 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one.

What is the SMILES notation for 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?

The canonical SMILES for 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one is Cc1nc(-c2ncc(C(=O)N3CCC[C@@H]3c3nonc3C)c(=O)[nH]2)cs1.

What is the InChIKey of 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?

The InChIKey is PFWSVCGVXJOESI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-8-13(21-25-20-8)12-4-3-5-22(12)16(24)10-6-17-14(19-15(10)23)11-7-26-9(2)18-11/h6-7,12H,3-5H2,1-2H3,(H,17,19,23)/t12-/m1/s1.

What are the key properties of 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?

5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 372.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 97143712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).