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

C24H24F3N5O6 — CID 170692039

IUPAC(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
SMILESCOc1ccc(C2=NOC(C[C@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)C2)cn1
InChIInChI=1S/C24H24F3N5O6/c1-36-20-3-2-11(8-28-20)16-6-13(38-30-16)7-18-23(34)22(24(35)19(10-33)37-18)32-9-17(29-31-32)12-4-14(25)21(27)15(26)5-12/h2-5,8-9,13,18-19,22-24,33-35H,6-7,10H2,1H3/t13?,18-,19-,22-,23+,24+/m1/s1
InChIKeyQMTPRTGAPSOLFO-KKMMHKSMSA-N
MW535.48 g/mol
LogP1.37
Rot. Bonds7

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

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol (PubChem CID 170692039) has the molecular formula C24H24F3N5O6 and a molecular weight of 535.48 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
PubChem CID170692039
Molecular FormulaC24H24F3N5O6
Molecular Weight535.48 g/mol
Exact Mass535.17
IUPAC Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
SMILESCOc1ccc(C2=NOC(C[C@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)C2)cn1
InChIInChI=1S/C24H24F3N5O6/c1-36-20-3-2-11(8-28-20)16-6-13(38-30-16)7-18-23(34)22(24(35)19(10-33)37-18)32-9-17(29-31-32)12-4-14(25)21(27)15(26)5-12/h2-5,8-9,13,18-19,22-24,33-35H,6-7,10H2,1H3/t13?,18-,19-,22-,23+,24+/m1/s1
InChIKeyQMTPRTGAPSOLFO-KKMMHKSMSA-N
XLogP1.37
TPSA144.34 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol (CID 170692039) is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-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-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol is COc1ccc(C2=NOC(C[C@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)C2)cn1.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?
The InChIKey is QMTPRTGAPSOLFO-KKMMHKSMSA-N. The full InChI is InChI=1S/C24H24F3N5O6/c1-36-20-3-2-11(8-28-20)16-6-13(38-30-16)7-18-23(34)22(24(35)19(10-33)37-18)32-9-17(29-31-32)12-4-14(25)21(27)15(26)5-12/h2-5,8-9,13,18-19,22-24,33-35H,6-7,10H2,1H3/t13?,18-,19-,22-,23+,24+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol?
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol has a molecular weight of 535.48 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[[3-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol is sourced from PubChem (CID 170692039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).