(2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol

C24H28F2N4O5 — CID 156643716

About (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol

(2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol (PubChem CID 156643716) has the molecular formula C24H28F2N4O5 and a molecular weight of 490.51 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol
• PubChem CID: 156643716
• Molecular Formula: C24H28F2N4O5
• Molecular Weight: 490.51 g/mol
• Exact Mass: 490.20
• IUPAC Name: (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol
• SMILES: CO[C@@H]1[C@@H](n2cc(-c3ccc(C)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Cc1cc(C2CCC2)on1
• InChI: InChI=1S/C24H28F2N4O5/c1-12-6-7-15(21(26)20(12)25)16-10-30(29-27-16)22-23(32)19(11-31)34-18(24(22)33-2)9-14-8-17(35-28-14)13-4-3-5-13/h6-8,10,13,18-19,22-24,31-32H,3-5,9,11H2,1-2H3/t18-,19-,22+,23+,24+/m1/s1
• InChIKey: NQZJJWXYKUYIOH-PGEXYDAJSA-N
• XLogP: 2.71
• TPSA: 115.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.51
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol?

The IUPAC name of (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol (CID 156643716) is (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol.

What is the SMILES notation for (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol?

The canonical SMILES for (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol is CO[C@@H]1[C@@H](n2cc(-c3ccc(C)c(F)c3F)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Cc1cc(C2CCC2)on1.

What is the InChIKey of (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol?

The InChIKey is NQZJJWXYKUYIOH-PGEXYDAJSA-N. The full InChI is InChI=1S/C24H28F2N4O5/c1-12-6-7-15(21(26)20(12)25)16-10-30(29-27-16)22-23(32)19(11-31)34-18(24(22)33-2)9-14-8-17(35-28-14)13-4-3-5-13/h6-8,10,13,18-19,22-24,31-32H,3-5,9,11H2,1-2H3/t18-,19-,22+,23+,24+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol?

(2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol has a molecular weight of 490.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-6-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]-4-[4-(2,3-difluoro-4-methylphenyl)triazol-1-yl]-2-(hydroxymethyl)-5-methoxyoxan-3-ol is sourced from PubChem (CID 156643716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).