N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

C30H26FN5O3 — CID 154598037

About N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 154598037) has the molecular formula C30H26FN5O3 and a molecular weight of 523.57 g/mol. Its IUPAC name is N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
• PubChem CID: 154598037
• Molecular Formula: C30H26FN5O3
• Molecular Weight: 523.57 g/mol
• Exact Mass: 523.20
• IUPAC Name: N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1ncoc1C(=O)N[C@H]1[C@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(C)C
• InChI: InChI=1S/C30H26FN5O3/c1-18-26(39-17-32-18)28(37)34-27-25(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-24-20(15-23)16-33-36(24)22-11-9-21(31)10-12-22/h4-17,25,27H,1-3H3,(H,34,37)/t25-,27-/m0/s1
• InChIKey: CNQWRRHHBSAQQG-BDYUSTAISA-N
• XLogP: 5.37
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.57
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 154598037) is N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@H]1[C@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(C)C.

What is the InChIKey of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?

The InChIKey is CNQWRRHHBSAQQG-BDYUSTAISA-N. The full InChI is InChI=1S/C30H26FN5O3/c1-18-26(39-17-32-18)28(37)34-27-25(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-24-20(15-23)16-33-36(24)22-11-9-21(31)10-12-22/h4-17,25,27H,1-3H3,(H,34,37)/t25-,27-/m0/s1.

What are the key properties of N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?

N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154598037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).