2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine

C38H37FN2O5 — CID 123156862

IUPAC2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine
SMILESCc1nc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c(F)nc1OCc1ccccc1
InChIInChI=1S/C38H37FN2O5/c1-27-38(45-25-31-20-12-5-13-21-31)41-37(39)33(40-27)35-36(44-24-30-18-10-4-11-19-30)34(43-23-29-16-8-3-9-17-29)32(46-35)26-42-22-28-14-6-2-7-15-28/h2-21,32,34-36H,22-26H2,1H3
InChIKeyWCAQASJFXBLSKX-UHFFFAOYSA-N
MW620.72 g/mol
LogP7.33
Rot. Bonds14

About 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine

2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine (PubChem CID 123156862) has the molecular formula C38H37FN2O5 and a molecular weight of 620.72 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine
PubChem CID123156862
Molecular FormulaC38H37FN2O5
Molecular Weight620.72 g/mol
Exact Mass620.27
IUPAC Name2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine
SMILESCc1nc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c(F)nc1OCc1ccccc1
InChIInChI=1S/C38H37FN2O5/c1-27-38(45-25-31-20-12-5-13-21-31)41-37(39)33(40-27)35-36(44-24-30-18-10-4-11-19-30)34(43-23-29-16-8-3-9-17-29)32(46-35)26-42-22-28-14-6-2-7-15-28/h2-21,32,34-36H,22-26H2,1H3
InChIKeyWCAQASJFXBLSKX-UHFFFAOYSA-N
XLogP7.33
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.72
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine with MolForge

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2-(2-fluoro-3-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 23080574
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine
CID 122543823
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine (CID 123156862) is 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine is Cc1nc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c(F)nc1OCc1ccccc1.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
The InChIKey is WCAQASJFXBLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37FN2O5/c1-27-38(45-25-31-20-12-5-13-21-31)41-37(39)33(40-27)35-36(44-24-30-18-10-4-11-19-30)34(43-23-29-16-8-3-9-17-29)32(46-35)26-42-22-28-14-6-2-7-15-28/h2-21,32,34-36H,22-26H2,1H3.
What are the key properties of 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine has a molecular weight of 620.72 g/mol, XLogP of 7.33, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine is sourced from PubChem (CID 123156862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).