N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide

C28H24FN5O2 — CID 88989805

About N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide

N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide (PubChem CID 88989805) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
• PubChem CID: 88989805
• Molecular Formula: C28H24FN5O2
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.19
• IUPAC Name: N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
• SMILES: Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cncc(F)c3)cc(C3=NO[C@H](c4ccccn4)C3)c2)nc1
• InChI: InChI=1S/C28H24FN5O2/c1-17-6-7-24(32-14-17)19-9-20(26-13-27(36-34-26)25-5-3-4-8-31-25)11-21(10-19)28(35)33-18(2)22-12-23(29)16-30-15-22/h3-12,14-16,18,27H,13H2,1-2H3,(H,33,35)/t18-,27-/m0/s1
• InChIKey: HUSURUOBPOTKJE-MYUZEXMDSA-N
• XLogP: 5.34
• TPSA: 89.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?

The IUPAC name of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide (CID 88989805) is N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide.

What is the SMILES notation for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?

The canonical SMILES for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cncc(F)c3)cc(C3=NO[C@H](c4ccccn4)C3)c2)nc1.

What is the InChIKey of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?

The InChIKey is HUSURUOBPOTKJE-MYUZEXMDSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-17-6-7-24(32-14-17)19-9-20(26-13-27(36-34-26)25-5-3-4-8-31-25)11-21(10-19)28(35)33-18(2)22-12-23(29)16-30-15-22/h3-12,14-16,18,27H,13H2,1-2H3,(H,33,35)/t18-,27-/m0/s1.

What are the key properties of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide?

N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide has a molecular weight of 481.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 88989805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).