N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C28H25FN4O4 — CID 69054896

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 69054896) has the molecular formula C28H25FN4O4 and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 69054896
• Molecular Formula: C28H25FN4O4
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.19
• IUPAC Name: N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COc1cccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)c2cc(C)on2)c1
• InChI: InChI=1S/C28H25FN4O4/c1-17-12-24(32-37-17)28(35)31-25(16-34)27(18-4-3-5-23(14-18)36-2)19-6-11-26-20(13-19)15-30-33(26)22-9-7-21(29)8-10-22/h3-15,25,27,34H,16H2,1-2H3,(H,31,35)/t25-,27?/m1/s1
• InChIKey: TWZMWJYDZAKWHX-CSMDKSQMSA-N
• XLogP: 4.39
• TPSA: 102.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 69054896) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)c2cc(C)on2)c1.

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

The InChIKey is TWZMWJYDZAKWHX-CSMDKSQMSA-N. The full InChI is InChI=1S/C28H25FN4O4/c1-17-12-24(32-37-17)28(35)31-25(16-34)27(18-4-3-5-23(14-18)36-2)19-6-11-26-20(13-19)15-30-33(26)22-9-7-21(29)8-10-22/h3-15,25,27,34H,16H2,1-2H3,(H,31,35)/t25-,27?/m1/s1.

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

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 69054896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).