2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole

C19H24N2O4 — CID 125419167

IUPAC2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESCCOc1ccc(O[C@H](C)c2nnc([C@H]3CC34CCOCC4)o2)cc1
InChIInChI=1S/C19H24N2O4/c1-3-23-14-4-6-15(7-5-14)24-13(2)17-20-21-18(25-17)16-12-19(16)8-10-22-11-9-19/h4-7,13,16H,3,8-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyRJUROWVKNJXSIP-CZUORRHYSA-N
MW344.41 g/mol
LogP3.89
Rot. Bonds6

About 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole

2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (PubChem CID 125419167) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
PubChem CID125419167
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESCCOc1ccc(O[C@H](C)c2nnc([C@H]3CC34CCOCC4)o2)cc1
InChIInChI=1S/C19H24N2O4/c1-3-23-14-4-6-15(7-5-14)24-13(2)17-20-21-18(25-17)16-12-19(16)8-10-22-11-9-19/h4-7,13,16H,3,8-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyRJUROWVKNJXSIP-CZUORRHYSA-N
XLogP3.89
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (CID 125419167) is 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is CCOc1ccc(O[C@H](C)c2nnc([C@H]3CC34CCOCC4)o2)cc1.
What is the InChIKey of 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The InChIKey is RJUROWVKNJXSIP-CZUORRHYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-23-14-4-6-15(7-5-14)24-13(2)17-20-21-18(25-17)16-12-19(16)8-10-22-11-9-19/h4-7,13,16H,3,8-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole has a molecular weight of 344.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-ethoxyphenoxy)ethyl]-5-[(2S)-6-oxaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 125419167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).