[(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid

C26H25F2N5O6 — CID 126698095

About [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid (PubChem CID 126698095) has the molecular formula C26H25F2N5O6 and a molecular weight of 541.51 g/mol. Its IUPAC name is [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 126698095
• Molecular Formula: C26H25F2N5O6
• Molecular Weight: 541.51 g/mol
• Exact Mass: 541.18
• IUPAC Name: [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
• SMILES: COC[C@@H](NC(=O)O)C(=O)NCc1nc2c(=O)n(C3CC3)c3c(C)c(-c4cc(F)c(N)cc4F)ccc3c2o1
• InChI: InChI=1S/C26H25F2N5O6/c1-11-13(15-7-17(28)18(29)8-16(15)27)5-6-14-22(11)33(12-3-4-12)25(35)21-23(14)39-20(32-21)9-30-24(34)19(10-38-2)31-26(36)37/h5-8,12,19,31H,3-4,9-10,29H2,1-2H3,(H,30,34)(H,36,37)/t19-/m1/s1
• InChIKey: OUNIPXZLDJZDHJ-LJQANCHMSA-N
• XLogP: 3.21
• TPSA: 161.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.51
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid (CID 126698095) is [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid is COC[C@@H](NC(=O)O)C(=O)NCc1nc2c(=O)n(C3CC3)c3c(C)c(-c4cc(F)c(N)cc4F)ccc3c2o1.

What is the InChIKey of [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?

The InChIKey is OUNIPXZLDJZDHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25F2N5O6/c1-11-13(15-7-17(28)18(29)8-16(15)27)5-6-14-22(11)33(12-3-4-12)25(35)21-23(14)39-20(32-21)9-30-24(34)19(10-38-2)31-26(36)37/h5-8,12,19,31H,3-4,9-10,29H2,1-2H3,(H,30,34)(H,36,37)/t19-/m1/s1.

What are the key properties of [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?

[(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid has a molecular weight of 541.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 126698095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).