[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol

C15H17ClN2O5 — CID 118337259

IUPAC[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol
SMILESCCOc1ccc(Cl)cc1-c1nnc([C@H]2COC[C@@H](CO)O2)o1
InChIInChI=1S/C15H17ClN2O5/c1-2-21-12-4-3-9(16)5-11(12)14-17-18-15(23-14)13-8-20-7-10(6-19)22-13/h3-5,10,13,19H,2,6-8H2,1H3/t10-,13-/m1/s1
InChIKeyWGVOHMWTZUGETP-ZWNOBZJWSA-N
MW340.76 g/mol
LogP2.24
Rot. Bonds5

About [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol

[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol (PubChem CID 118337259) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol
PubChem CID118337259
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol
SMILESCCOc1ccc(Cl)cc1-c1nnc([C@H]2COC[C@@H](CO)O2)o1
InChIInChI=1S/C15H17ClN2O5/c1-2-21-12-4-3-9(16)5-11(12)14-17-18-15(23-14)13-8-20-7-10(6-19)22-13/h3-5,10,13,19H,2,6-8H2,1H3/t10-,13-/m1/s1
InChIKeyWGVOHMWTZUGETP-ZWNOBZJWSA-N
XLogP2.24
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol?
The IUPAC name of [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol (CID 118337259) is [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol is CCOc1ccc(Cl)cc1-c1nnc([C@H]2COC[C@@H](CO)O2)o1.
What is the InChIKey of [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol?
The InChIKey is WGVOHMWTZUGETP-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c1-2-21-12-4-3-9(16)5-11(12)14-17-18-15(23-14)13-8-20-7-10(6-19)22-13/h3-5,10,13,19H,2,6-8H2,1H3/t10-,13-/m1/s1.
What are the key properties of [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol?
[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol has a molecular weight of 340.76 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 118337259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).