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

C14H16ClN3O6 — CID 72722554

IUPAC(2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Nc2nnc(-c3cccc(Cl)c3)o2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H16ClN3O6/c15-7-3-1-2-6(4-7)12-17-18-14(24-12)16-13-11(22)10(21)9(20)8(5-19)23-13/h1-4,8-11,13,19-22H,5H2,(H,16,18)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyONJKBGQZXHSYQE-BZNQNGANSA-N
MW357.75 g/mol
LogP-0.40
Rot. Bonds4

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

(2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 72722554) has the molecular formula C14H16ClN3O6 and a molecular weight of 357.75 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID72722554
Molecular FormulaC14H16ClN3O6
Molecular Weight357.75 g/mol
Exact Mass357.07
IUPAC Name(2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Nc2nnc(-c3cccc(Cl)c3)o2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H16ClN3O6/c15-7-3-1-2-6(4-7)12-17-18-14(24-12)16-13-11(22)10(21)9(20)8(5-19)23-13/h1-4,8-11,13,19-22H,5H2,(H,16,18)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyONJKBGQZXHSYQE-BZNQNGANSA-N
XLogP-0.40
TPSA141.10 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 5-0.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

(2S,3S,4R,5S,6S)-2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7161461
(2R,3S,4S,5R)-2-[(3-chloroanilino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10683684
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]anilino]oxane-3,4,5-triol
CID 124766547
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
(2R)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 154782558
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(3-methylanilino)oxane-3,4,5-triol
CID 131865322
(2S,5R)-2-[4-[[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]anilino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11836445
2-(4-aminoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89146864
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
(2S,3R,4R,5R,6R)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078468
(2S,3S,4R,5S,6S)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7074542

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 72722554) is (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](Nc2nnc(-c3cccc(Cl)c3)o2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ONJKBGQZXHSYQE-BZNQNGANSA-N. The full InChI is InChI=1S/C14H16ClN3O6/c15-7-3-1-2-6(4-7)12-17-18-14(24-12)16-13-11(22)10(21)9(20)8(5-19)23-13/h1-4,8-11,13,19-22H,5H2,(H,16,18)/t8-,9-,10+,11-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 357.75 g/mol, XLogP of -0.40, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 72722554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).