(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

C12H17N5O5 — CID 142769782

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
SMILESCC(C)c1nc(-c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)no1
InChIInChI=1S/C12H17N5O5/c1-5(2)11-14-10(16-22-11)9-13-4-17(15-9)12-8(20)7(19)6(3-18)21-12/h4-8,12,18-20H,3H2,1-2H3/t6-,7-,8-,12-/m1/s1
InChIKeyBIOCVJZTXOKPBQ-BMYQGPEFSA-N
MW311.30 g/mol
LogP-0.94
Rot. Bonds4

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol (PubChem CID 142769782) has the molecular formula C12H17N5O5 and a molecular weight of 311.30 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
PubChem CID142769782
Molecular FormulaC12H17N5O5
Molecular Weight311.30 g/mol
Exact Mass311.12
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
SMILESCC(C)c1nc(-c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)no1
InChIInChI=1S/C12H17N5O5/c1-5(2)11-14-10(16-22-11)9-13-4-17(15-9)12-8(20)7(19)6(3-18)21-12/h4-8,12,18-20H,3H2,1-2H3/t6-,7-,8-,12-/m1/s1
InChIKeyBIOCVJZTXOKPBQ-BMYQGPEFSA-N
XLogP-0.94
TPSA139.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 22213612
(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 70885247
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
copper;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 174517530
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
CID 161460881
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-[hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 24984664
2-[1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 139901304
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide;hydrochloride
CID 163285433
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbonitrile
CID 3006680
(2R,3R,4S,5S,6R)-2-(5,6-dimethylbenzimidazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171384115
(2R,5R)-2-(hydroxymethyl)-5-[6-(piperidin-1-ylamino)-2-propan-2-ylpurin-9-yl]oxolane-3,4-diol
CID 57235636
N'-butyl-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 46875944

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol (CID 142769782) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol is CC(C)c1nc(-c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)no1.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The InChIKey is BIOCVJZTXOKPBQ-BMYQGPEFSA-N. The full InChI is InChI=1S/C12H17N5O5/c1-5(2)11-14-10(16-22-11)9-13-4-17(15-9)12-8(20)7(19)6(3-18)21-12/h4-8,12,18-20H,3H2,1-2H3/t6-,7-,8-,12-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol has a molecular weight of 311.30 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol is sourced from PubChem (CID 142769782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).