(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol

C15H18N2O7 — CID 45272548

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol
SMILESCOc1ccc(-c2nnc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)o2)cc1
InChIInChI=1S/C15H18N2O7/c1-22-8-4-2-7(3-5-8)14-16-17-15(24-14)13-12(21)11(20)10(19)9(6-18)23-13/h2-5,9-13,18-21H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyHDJLRJRRVMSEQQ-UJPOAAIJSA-N
MW338.32 g/mol
LogP-0.74
Rot. Bonds4

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol (PubChem CID 45272548) has the molecular formula C15H18N2O7 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol
PubChem CID45272548
Molecular FormulaC15H18N2O7
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol
SMILESCOc1ccc(-c2nnc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)o2)cc1
InChIInChI=1S/C15H18N2O7/c1-22-8-4-2-7(3-5-8)14-16-17-15(24-14)13-12(21)11(20)10(19)9(6-18)23-13/h2-5,9-13,18-21H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyHDJLRJRRVMSEQQ-UJPOAAIJSA-N
XLogP-0.74
TPSA138.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol (CID 45272548) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol is COc1ccc(-c2nnc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)o2)cc1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol?
The InChIKey is HDJLRJRRVMSEQQ-UJPOAAIJSA-N. The full InChI is InChI=1S/C15H18N2O7/c1-22-8-4-2-7(3-5-8)14-16-17-15(24-14)13-12(21)11(20)10(19)9(6-18)23-13/h2-5,9-13,18-21H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol has a molecular weight of 338.32 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 45272548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).