1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione

C24H16F3N5O6 — CID 137150005

About 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione

1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione (PubChem CID 137150005) has the molecular formula C24H16F3N5O6 and a molecular weight of 527.42 g/mol. Its IUPAC name is 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione
• PubChem CID: 137150005
• Molecular Formula: C24H16F3N5O6
• Molecular Weight: 527.42 g/mol
• Exact Mass: 527.11
• IUPAC Name: 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione
• SMILES: Cn1c(=O)oc2cc(-n3cc(-c4noc(=O)[nH]4)c(=O)n([C@@H]4CCc5c4cccc5C(F)(F)F)c3=O)ccc21
• InChI: InChI=1S/C24H16F3N5O6/c1-30-17-7-5-11(9-18(17)37-23(30)36)31-10-14(19-28-21(34)38-29-19)20(33)32(22(31)35)16-8-6-12-13(16)3-2-4-15(12)24(25,26)27/h2-5,7,9-10,16H,6,8H2,1H3,(H,28,29,34)/t16-/m1/s1
• InChIKey: KZDCGPSGGNAHIS-MRXNPFEDSA-N
• XLogP: 2.34
• TPSA: 138.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.42
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione (CID 137150005) is 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione is Cn1c(=O)oc2cc(-n3cc(-c4noc(=O)[nH]4)c(=O)n([C@@H]4CCc5c4cccc5C(F)(F)F)c3=O)ccc21.

What is the InChIKey of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

The InChIKey is KZDCGPSGGNAHIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H16F3N5O6/c1-30-17-7-5-11(9-18(17)37-23(30)36)31-10-14(19-28-21(34)38-29-19)20(33)32(22(31)35)16-8-6-12-13(16)3-2-4-15(12)24(25,26)27/h2-5,7,9-10,16H,6,8H2,1H3,(H,28,29,34)/t16-/m1/s1.

What are the key properties of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione has a molecular weight of 527.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 137150005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).