(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol

C23H26F3N5O5 — CID 175743319

About (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol (PubChem CID 175743319) has the molecular formula C23H26F3N5O5 and a molecular weight of 509.49 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol
• PubChem CID: 175743319
• Molecular Formula: C23H26F3N5O5
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.19
• IUPAC Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol
• SMILES: CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Cc1cc([C@@H]2CCNC2)on1
• InChI: InChI=1S/C23H26F3N5O5/c1-34-23-18(7-13-6-17(36-29-13)11-2-3-27-8-11)35-19(10-32)22(33)21(23)31-9-16(28-30-31)12-4-14(24)20(26)15(25)5-12/h4-6,9,11,18-19,21-23,27,32-33H,2-3,7-8,10H2,1H3/t11-,18-,19-,21+,22+,23+/m1/s1
• InChIKey: UDDPVMGKSIIEAO-GESIMRHLSA-N
• XLogP: 1.35
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol?

The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol (CID 175743319) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol.

What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol?

The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol is CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Cc1cc([C@@H]2CCNC2)on1.

What is the InChIKey of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol?

The InChIKey is UDDPVMGKSIIEAO-GESIMRHLSA-N. The full InChI is InChI=1S/C23H26F3N5O5/c1-34-23-18(7-13-6-17(36-29-13)11-2-3-27-8-11)35-19(10-32)22(33)21(23)31-9-16(28-30-31)12-4-14(24)20(26)15(25)5-12/h4-6,9,11,18-19,21-23,27,32-33H,2-3,7-8,10H2,1H3/t11-,18-,19-,21+,22+,23+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol?

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol has a molecular weight of 509.49 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-5-methoxy-6-[[5-[(3R)-pyrrolidin-3-yl]-1,2-oxazol-3-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol is sourced from PubChem (CID 175743319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).