6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H16N4O4 — CID 95222314

About 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 95222314) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 95222314
• Molecular Formula: C14H16N4O4
• Molecular Weight: 304.31 g/mol
• Exact Mass: 304.12
• IUPAC Name: 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• SMILES: Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
• InChI: InChI=1S/C14H16N4O4/c1-7-12(8(2)22-17-7)10-4-3-5-18(10)13(20)9-6-11(19)16-14(21)15-9/h6,10H,3-5H2,1-2H3,(H2,15,16,19,21)/t10-/m0/s1
• InChIKey: DWLMSJAXSCQEKL-JTQLQIEISA-N
• XLogP: 0.65
• TPSA: 112.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.31
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 95222314) is 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.

What is the InChIKey of 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

The InChIKey is DWLMSJAXSCQEKL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O4/c1-7-12(8(2)22-17-7)10-4-3-5-18(10)13(20)9-6-11(19)16-14(21)15-9/h6,10H,3-5H2,1-2H3,(H2,15,16,19,21)/t10-/m0/s1.

What are the key properties of 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 304.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95222314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).