N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

C26H28FN5O5 — CID 142501058

About N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 142501058) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 142501058
• Molecular Formula: C26H28FN5O5
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.21
• IUPAC Name: N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
• SMILES: CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3coc(-c4ccncc4)n3)c(N3CCOCC3)cc2C1=O
• InChI: InChI=1S/C26H28FN5O5/c1-26(2,35)22(27)14-32-13-17-11-19(21(12-18(17)25(32)34)31-7-9-36-10-8-31)29-23(33)20-15-37-24(30-20)16-3-5-28-6-4-16/h3-6,11-12,15,22,35H,7-10,13-14H2,1-2H3,(H,29,33)/t22-/m1/s1
• InChIKey: FVDNPPQYTROFIN-JOCHJYFZSA-N
• XLogP: 2.89
• TPSA: 121.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide (CID 142501058) is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3coc(-c4ccncc4)n3)c(N3CCOCC3)cc2C1=O.

What is the InChIKey of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

The InChIKey is FVDNPPQYTROFIN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28FN5O5/c1-26(2,35)22(27)14-32-13-17-11-19(21(12-18(17)25(32)34)31-7-9-36-10-8-31)29-23(33)20-15-37-24(30-20)16-3-5-28-6-4-16/h3-6,11-12,15,22,35H,7-10,13-14H2,1-2H3,(H,29,33)/t22-/m1/s1.

What are the key properties of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide?

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142501058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).