3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione

C16H22N4O4 — CID 72894969

About 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione

3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione (PubChem CID 72894969) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione
• PubChem CID: 72894969
• Molecular Formula: C16H22N4O4
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.16
• IUPAC Name: 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione
• SMILES: CC(C)c1cc(C2CCCN2C(=O)CN2C(=O)CCNC2=O)no1
• InChI: InChI=1S/C16H22N4O4/c1-10(2)13-8-11(18-24-13)12-4-3-7-19(12)15(22)9-20-14(21)5-6-17-16(20)23/h8,10,12H,3-7,9H2,1-2H3,(H,17,23)
• InChIKey: CYVQLUIVGNYWQR-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 95.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione?

The IUPAC name of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione (CID 72894969) is 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione is CC(C)c1cc(C2CCCN2C(=O)CN2C(=O)CCNC2=O)no1.

What is the InChIKey of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione?

The InChIKey is CYVQLUIVGNYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-10(2)13-8-11(18-24-13)12-4-3-7-19(12)15(22)9-20-14(21)5-6-17-16(20)23/h8,10,12H,3-7,9H2,1-2H3,(H,17,23).

What are the key properties of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione?

3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 72894969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).