methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C15H24N2O6 — CID 87430389

IUPACmethyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOOC[C@H]1N=C(C(C)(C)C2=N[C@H](C(=O)OC)[C@@H](C)O2)O[C@@H]1C
InChIInChI=1S/C15H24N2O6/c1-8-10(7-21-20-6)16-13(22-8)15(3,4)14-17-11(9(2)23-14)12(18)19-5/h8-11H,7H2,1-6H3/t8-,9-,10-,11+/m1/s1
InChIKeyZBLPEYYSJNEAKV-DBIOUOCHSA-N
MW328.37 g/mol
LogP1.14
Rot. Bonds6

About methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 87430389) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID87430389
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Namemethyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOOC[C@H]1N=C(C(C)(C)C2=N[C@H](C(=O)OC)[C@@H](C)O2)O[C@@H]1C
InChIInChI=1S/C15H24N2O6/c1-8-10(7-21-20-6)16-13(22-8)15(3,4)14-17-11(9(2)23-14)12(18)19-5/h8-11H,7H2,1-6H3/t8-,9-,10-,11+/m1/s1
InChIKeyZBLPEYYSJNEAKV-DBIOUOCHSA-N
XLogP1.14
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 87430389) is methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate is COOC[C@H]1N=C(C(C)(C)C2=N[C@H](C(=O)OC)[C@@H](C)O2)O[C@@H]1C.
What is the InChIKey of methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ZBLPEYYSJNEAKV-DBIOUOCHSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-8-10(7-21-20-6)16-13(22-8)15(3,4)14-17-11(9(2)23-14)12(18)19-5/h8-11H,7H2,1-6H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 87430389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).