[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate

C25H26N2O6 — CID 101359792

IUPAC[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate
SMILESCC(C)(C1=N[C@@H](COC(=O)c2ccccc2)CO1)C1=N[C@@H](COC(=O)c2ccccc2)CO1
InChIInChI=1S/C25H26N2O6/c1-25(2,23-26-19(15-32-23)13-30-21(28)17-9-5-3-6-10-17)24-27-20(16-33-24)14-31-22(29)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyQXMLUVQYCMOELY-PMACEKPBSA-N
MW450.49 g/mol
LogP3.32
Rot. Bonds8

About [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate

[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate (PubChem CID 101359792) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate.

Molecular Properties

Compound Name[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate
PubChem CID101359792
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate
SMILESCC(C)(C1=N[C@@H](COC(=O)c2ccccc2)CO1)C1=N[C@@H](COC(=O)c2ccccc2)CO1
InChIInChI=1S/C25H26N2O6/c1-25(2,23-26-19(15-32-23)13-30-21(28)17-9-5-3-6-10-17)24-27-20(16-33-24)14-31-22(29)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyQXMLUVQYCMOELY-PMACEKPBSA-N
XLogP3.32
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate with MolForge

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Related Compounds

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CID 85086924
[(2R)-5-hydroxyoxolan-2-yl]methyl benzoate;propane-2,2-diol
CID 145051457
[(2R,4S)-4-methyl-1,3-oxathiolan-2-yl]methyl benzoate
CID 163488154
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
CID 22960900
CID 22960900
[(1R)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 71314028
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836
(3-oxocyclobutyl)methyl benzoate
CID 15531476
[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate
CID 10547255
[(1S,2R,4R)-5-oxabicyclo[2.1.0]pentan-2-yl]methyl benzoate
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[(2S,3R,4R,5R)-3,4,5-tribenzoyloxyoxolan-2-yl]methyl benzoate
CID 124525731

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate?
The IUPAC name of [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate (CID 101359792) is [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate.
What is the SMILES notation for [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate?
The canonical SMILES for [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate is CC(C)(C1=N[C@@H](COC(=O)c2ccccc2)CO1)C1=N[C@@H](COC(=O)c2ccccc2)CO1.
What is the InChIKey of [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate?
The InChIKey is QXMLUVQYCMOELY-PMACEKPBSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-25(2,23-26-19(15-32-23)13-30-21(28)17-9-5-3-6-10-17)24-27-20(16-33-24)14-31-22(29)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate?
[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate has a molecular weight of 450.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate is sourced from PubChem (CID 101359792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).