(5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C97H81F3N16O18 — CID 159341672

About (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

(5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 159341672) has the molecular formula C97H81F3N16O18 and a molecular weight of 1815.80 g/mol. Its IUPAC name is (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 159341672
• Molecular Formula: C97H81F3N16O18
• Molecular Weight: 1815.80 g/mol
• Exact Mass: 1814.59
• IUPAC Name: (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
• SMILES: CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncc(C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3ccc(C(F)(F)F)cc3)NC(=O)NC1=O)C2.Cc1onc(N)c1-c1ccc([C@@]2(CN3Cc4ccc(O)cc4C3=O)NC(=O)NC2=O)cc1
• InChI: InChI=1S/C28H24N4O4.C27H22N4O5.C22H19N5O5.C20H16F3N3O4/c1-3-4-11-36-23-10-7-20-16-32(25(33)24(20)13-23)17-28(26(34)30-27(35)31-28)22-8-5-19(6-9-22)21-12-18(2)14-29-15-21;1-2-3-13-36-20-11-8-18-15-31(24(33)22(18)14-20)16-27(25(34)29-26(35)30-27)19-9-6-17(7-10-19)21-5-4-12-28-23(21)32;1-11-17(18(23)26-32-11)12-2-5-14(6-3-12)22(20(30)24-21(31)25-22)10-27-9-13-4-7-15(28)8-16(13)19(27)29;1-30-14-7-2-11-9-26(16(27)15(11)8-14)10-19(17(28)24-18(29)25-19)12-3-5-13(6-4-12)20(21,22)23/h5-10,12-15H,11,16-17H2,1-2H3,(H2,30,31,34,35);4-12,14H,13,15-16H2,1H3,(H,28,32)(H2,29,30,34,35);2-8,28H,9-10H2,1H3,(H2,23,26)(H2,24,25,30,31);2-8H,9-10H2,1H3,(H2,24,25,28,29)/t28-;27-;22-;/m001./s1
• InChIKey: LGFIPYXQXUWOQY-HSFVIFEZSA-N
• XLogP: 9.32
• TPSA: 459.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1815.80
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 159341672) is (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncc(C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3ccc(C(F)(F)F)cc3)NC(=O)NC1=O)C2.Cc1onc(N)c1-c1ccc([C@@]2(CN3Cc4ccc(O)cc4C3=O)NC(=O)NC2=O)cc1.

What is the InChIKey of (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?

The InChIKey is LGFIPYXQXUWOQY-HSFVIFEZSA-N. The full InChI is InChI=1S/C28H24N4O4.C27H22N4O5.C22H19N5O5.C20H16F3N3O4/c1-3-4-11-36-23-10-7-20-16-32(25(33)24(20)13-23)17-28(26(34)30-27(35)31-28)22-8-5-19(6-9-22)21-12-18(2)14-29-15-21;1-2-3-13-36-20-11-8-18-15-31(24(33)22(18)14-20)16-27(25(34)29-26(35)30-27)19-9-6-17(7-10-19)21-5-4-12-28-23(21)32;1-11-17(18(23)26-32-11)12-2-5-14(6-3-12)22(20(30)24-21(31)25-22)10-27-9-13-4-7-15(28)8-16(13)19(27)29;1-30-14-7-2-11-9-26(16(27)15(11)8-14)10-19(17(28)24-18(29)25-19)12-3-5-13(6-4-12)20(21,22)23/h5-10,12-15H,11,16-17H2,1-2H3,(H2,30,31,34,35);4-12,14H,13,15-16H2,1H3,(H,28,32)(H2,29,30,34,35);2-8,28H,9-10H2,1H3,(H2,23,26)(H2,24,25,30,31);2-8H,9-10H2,1H3,(H2,24,25,28,29)/t28-;27-;22-;/m001./s1.

What are the key properties of (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?

(5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1815.80 g/mol, XLogP of 9.32, 20 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[4-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159341672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).