6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one

C24H18F3N5O6 — CID 137232691

About 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one

6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 137232691) has the molecular formula C24H18F3N5O6 and a molecular weight of 529.43 g/mol. Its IUPAC name is 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one
• PubChem CID: 137232691
• Molecular Formula: C24H18F3N5O6
• Molecular Weight: 529.43 g/mol
• Exact Mass: 529.12
• IUPAC Name: 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one
• SMILES: Cn1c(=O)oc2cc(N3C=C(c4noc(=O)[nH]4)C(O)N(C4CCc5c4cccc5C(F)(F)F)C3=O)ccc21
• InChI: InChI=1S/C24H18F3N5O6/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/h2-5,7,9-10,16,20,33H,6,8H2,1H3,(H,28,29,34)
• InChIKey: NMYDPPHDUACNKR-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 137.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.43
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one (CID 137232691) is 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one.

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

The canonical SMILES for 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(N3C=C(c4noc(=O)[nH]4)C(O)N(C4CCc5c4cccc5C(F)(F)F)C3=O)ccc21.

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

The InChIKey is NMYDPPHDUACNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O6/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/h2-5,7,9-10,16,20,33H,6,8H2,1H3,(H,28,29,34).

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

6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 529.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-hydroxy-2-oxo-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidin-1-yl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 137232691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).