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

C15H18N2O7 — CID 46943442

IUPAC(2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCOc1cc(OC)cc(-c2noc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)c1
InChIInChI=1S/C15H18N2O7/c1-21-8-3-7(4-9(5-8)22-2)14-16-15(24-17-14)13-12(20)11(19)10(6-18)23-13/h3-5,10-13,18-20H,6H2,1-2H3/t10-,11-,12-,13-/m1/s1
InChIKeyOTUBRPAQCQYYPW-FDYHWXHSSA-N
MW338.32 g/mol
LogP-0.09
Rot. Bonds5

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

(2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 46943442) has the molecular formula C15H18N2O7 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID46943442
Molecular FormulaC15H18N2O7
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Name(2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCOc1cc(OC)cc(-c2noc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)c1
InChIInChI=1S/C15H18N2O7/c1-21-8-3-7(4-9(5-8)22-2)14-16-15(24-17-14)13-12(20)11(19)10(6-18)23-13/h3-5,10-13,18-20H,6H2,1-2H3/t10-,11-,12-,13-/m1/s1
InChIKeyOTUBRPAQCQYYPW-FDYHWXHSSA-N
XLogP-0.09
TPSA127.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 103399802
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 103399678
1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103399766
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
1-(3,5-dimethoxyphenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
CID 56983973
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
(2R,3S,4R,5S,6R)-2-(4-bromo-3-methoxyphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71730535
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-(4-methoxyphenoxy)oxane-3,5-diol
CID 146660886
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1-one
CID 51364339
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxane-3,4,5-triol
CID 85473067

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 46943442) is (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol is COc1cc(OC)cc(-c2noc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)c1.
What is the InChIKey of (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OTUBRPAQCQYYPW-FDYHWXHSSA-N. The full InChI is InChI=1S/C15H18N2O7/c1-21-8-3-7(4-9(5-8)22-2)14-16-15(24-17-14)13-12(20)11(19)10(6-18)23-13/h3-5,10-13,18-20H,6H2,1-2H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 338.32 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 46943442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).