4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H23F3N4O4 — CID 66604428

About 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 66604428) has the molecular formula C32H23F3N4O4 and a molecular weight of 584.55 g/mol. Its IUPAC name is 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 66604428
• Molecular Formula: C32H23F3N4O4
• Molecular Weight: 584.55 g/mol
• Exact Mass: 584.17
• IUPAC Name: 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N[C@H](C)c4nc5ccncc5o4)cc(F)c3C)c(F)c12
• InChI: InChI=1S/C32H23F3N4O4/c1-15-21(12-18(13-22(15)34)30(40)38-16(2)32-39-23-10-11-37-14-25(23)43-32)20-8-9-24-26(28(20)35)27(31(41)36-3)29(42-24)17-4-6-19(33)7-5-17/h4-14,16H,1-3H3,(H,36,41)(H,38,40)/t16-/m1/s1
• InChIKey: LNRCXGXTKOXBRF-MRXNPFEDSA-N
• XLogP: 6.88
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.55
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 66604428) is 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N[C@H](C)c4nc5ccncc5o4)cc(F)c3C)c(F)c12.

What is the InChIKey of 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The InChIKey is LNRCXGXTKOXBRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C32H23F3N4O4/c1-15-21(12-18(13-22(15)34)30(40)38-16(2)32-39-23-10-11-37-14-25(23)43-32)20-8-9-24-26(28(20)35)27(31(41)36-3)29(42-24)17-4-6-19(33)7-5-17/h4-14,16H,1-3H3,(H,36,41)(H,38,40)/t16-/m1/s1.

What are the key properties of 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 584.55 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-5-[3-fluoro-2-methyl-5-[[(1R)-1-([1,3]oxazolo[5,4-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 66604428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).