(2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol

C24H27F3N4O5 — CID 172721035

About (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol

(2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol (PubChem CID 172721035) has the molecular formula C24H27F3N4O5 and a molecular weight of 508.50 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
• PubChem CID: 172721035
• Molecular Formula: C24H27F3N4O5
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.19
• IUPAC Name: (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
• SMILES: OC[C@H]1O[C@H](Cc2cc(C3CCCCC3)on2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O
• InChI: InChI=1S/C24H27F3N4O5/c25-15-6-13(7-16(26)21(15)27)17-10-31(30-28-17)22-23(33)19(35-20(11-32)24(22)34)9-14-8-18(36-29-14)12-4-2-1-3-5-12/h6-8,10,12,19-20,22-24,32-34H,1-5,9,11H2/t19-,20-,22-,23+,24+/m1/s1
• InChIKey: GNAPTCPBFYHVRQ-VEEZHQPXSA-N
• XLogP: 2.66
• TPSA: 126.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?

The IUPAC name of (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol (CID 172721035) is (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol.

What is the SMILES notation for (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?

The canonical SMILES for (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol is OC[C@H]1O[C@H](Cc2cc(C3CCCCC3)on2)[C@H](O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O.

What is the InChIKey of (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?

The InChIKey is GNAPTCPBFYHVRQ-VEEZHQPXSA-N. The full InChI is InChI=1S/C24H27F3N4O5/c25-15-6-13(7-16(26)21(15)27)17-10-31(30-28-17)22-23(33)19(35-20(11-32)24(22)34)9-14-8-18(36-29-14)12-4-2-1-3-5-12/h6-8,10,12,19-20,22-24,32-34H,1-5,9,11H2/t19-,20-,22-,23+,24+/m1/s1.

What are the key properties of (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?

(2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol has a molecular weight of 508.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R,6R)-2-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol is sourced from PubChem (CID 172721035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).