5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine

C32H34N2O4 — CID 122543823

IUPAC5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine
SMILESCC[C@H]1O[C@@H](c2cnc(OCc3ccccc3)c(C)n2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H34N2O4/c1-3-28-30(35-20-24-13-7-4-8-14-24)31(36-21-25-15-9-5-10-16-25)29(38-28)27-19-33-32(23(2)34-27)37-22-26-17-11-6-12-18-26/h4-19,28-31H,3,20-22H2,1-2H3/t28-,29+,30?,31-/m1/s1
InChIKeyWJXHIKYSCIWTOK-VHBSPPJTSA-N
MW510.63 g/mol
LogP6.38
Rot. Bonds11

About 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine

5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine (PubChem CID 122543823) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine.

Molecular Properties

Compound Name5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine
PubChem CID122543823
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine
SMILESCC[C@H]1O[C@@H](c2cnc(OCc3ccccc3)c(C)n2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H34N2O4/c1-3-28-30(35-20-24-13-7-4-8-14-24)31(36-21-25-15-9-5-10-16-25)29(38-28)27-19-33-32(23(2)34-27)37-22-26-17-11-6-12-18-26/h4-19,28-31H,3,20-22H2,1-2H3/t28-,29+,30?,31-/m1/s1
InChIKeyWJXHIKYSCIWTOK-VHBSPPJTSA-N
XLogP6.38
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine with MolForge

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Related Compounds

3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine
CID 118149175
2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 123156862
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 159215203
2-chloro-5-[(2S,3S,4S,5R,6R)-6-ethyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]benzoic acid
CID 58242648
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
(2S,3S,4S,5R,6R)-2-[3-(1-benzothiophen-2-ylmethyl)phenyl]-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 66606042

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine?
The IUPAC name of 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine (CID 122543823) is 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine.
What is the SMILES notation for 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine?
The canonical SMILES for 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine is CC[C@H]1O[C@@H](c2cnc(OCc3ccccc3)c(C)n2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine?
The InChIKey is WJXHIKYSCIWTOK-VHBSPPJTSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-3-28-30(35-20-24-13-7-4-8-14-24)31(36-21-25-15-9-5-10-16-25)29(38-28)27-19-33-32(23(2)34-27)37-22-26-17-11-6-12-18-26/h4-19,28-31H,3,20-22H2,1-2H3/t28-,29+,30?,31-/m1/s1.
What are the key properties of 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine?
5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine has a molecular weight of 510.63 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine is sourced from PubChem (CID 122543823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).