(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C29H27FN4O6 — CID 167701916

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167701916) has the molecular formula C29H27FN4O6 and a molecular weight of 546.56 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167701916
• Molecular Formula: C29H27FN4O6
• Molecular Weight: 546.56 g/mol
• Exact Mass: 546.19
• IUPAC Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1cnco1
• InChI: InChI=1S/C29H27FN4O6/c1-28(27(31)36)14-39-25-20(28)11-23(34-24(25)16-4-7-18(30)8-5-16)29(2,37)13-33-26(35)17-6-9-19(21(10-17)38-3)22-12-32-15-40-22/h4-12,15,37H,13-14H2,1-3H3,(H2,31,36)(H,33,35)/t28-,29-/m0/s1
• InChIKey: YNBVTYYPULHMHG-VMPREFPWSA-N
• XLogP: 3.32
• TPSA: 149.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.56
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167701916) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1cnco1.

What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is YNBVTYYPULHMHG-VMPREFPWSA-N. The full InChI is InChI=1S/C29H27FN4O6/c1-28(27(31)36)14-39-25-20(28)11-23(34-24(25)16-4-7-18(30)8-5-16)29(2,37)13-33-26(35)17-6-9-19(21(10-17)38-3)22-12-32-15-40-22/h4-12,15,37H,13-14H2,1-3H3,(H2,31,36)(H,33,35)/t28-,29-/m0/s1.

What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 546.56 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167701916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).