2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide

C23H23FN2O4 — CID 75366962

About 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide

2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide (PubChem CID 75366962) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide
• PubChem CID: 75366962
• Molecular Formula: C23H23FN2O4
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.16
• IUPAC Name: 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide
• SMILES: O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccccc1F
• InChI: InChI=1S/C23H23FN2O4/c24-19-9-5-4-8-18(19)23(28)25-14-22-20(27)11-10-17(29-22)12-16-13-21(30-26-16)15-6-2-1-3-7-15/h1-9,13,17,20,22,27H,10-12,14H2,(H,25,28)/t17-,20-,22+/m0/s1
• InChIKey: AMQNRFVMPJGKOR-RBDMOPTHSA-N
• XLogP: 3.36
• TPSA: 84.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide?

The IUPAC name of 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide (CID 75366962) is 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide?

The canonical SMILES for 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide is O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide?

The InChIKey is AMQNRFVMPJGKOR-RBDMOPTHSA-N. The full InChI is InChI=1S/C23H23FN2O4/c24-19-9-5-4-8-18(19)23(28)25-14-22-20(27)11-10-17(29-22)12-16-13-21(30-26-16)15-6-2-1-3-7-15/h1-9,13,17,20,22,27H,10-12,14H2,(H,25,28)/t17-,20-,22+/m0/s1.

What are the key properties of 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide?

2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 75366962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).