1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C20H19ClN4O4 — CID 124994852

About 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 124994852) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 124994852
• Molecular Formula: C20H19ClN4O4
• Molecular Weight: 414.85 g/mol
• Exact Mass: 414.11
• IUPAC Name: 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1
• InChI: InChI=1S/C20H19ClN4O4/c21-14-4-1-3-13(9-14)10-15-11-22-19(29-15)16-5-2-7-25(16)18(27)12-24-8-6-17(26)23-20(24)28/h1,3-4,6,8-9,11,16H,2,5,7,10,12H2,(H,23,26,28)/t16-/m1/s1
• InChIKey: QHPRRWQUUBGCBU-MRXNPFEDSA-N
• XLogP: 2.13
• TPSA: 101.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.85
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 124994852) is 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1.

What is the InChIKey of 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The InChIKey is QHPRRWQUUBGCBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c21-14-4-1-3-13(9-14)10-15-11-22-19(29-15)16-5-2-7-25(16)18(27)12-24-8-6-17(26)23-20(24)28/h1,3-4,6,8-9,11,16H,2,5,7,10,12H2,(H,23,26,28)/t16-/m1/s1.

What are the key properties of 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 414.85 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 124994852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).