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

C13H20N2O4 — CID 153042336

IUPACmethyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1N=C(C(C)(C)C2=NC[C@@H](C)O2)O[C@@H]1C
InChIInChI=1S/C13H20N2O4/c1-7-6-14-11(18-7)13(3,4)12-15-9(8(2)19-12)10(16)17-5/h7-9H,6H2,1-5H3/t7-,8-,9+/m1/s1
InChIKeyVFYAZHYJVYQJLR-HLTSFMKQSA-N
MW268.31 g/mol
LogP1.19
Rot. Bonds3

About methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-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-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 153042336) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-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-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID153042336
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1N=C(C(C)(C)C2=NC[C@@H](C)O2)O[C@@H]1C
InChIInChI=1S/C13H20N2O4/c1-7-6-14-11(18-7)13(3,4)12-15-9(8(2)19-12)10(16)17-5/h7-9H,6H2,1-5H3/t7-,8-,9+/m1/s1
InChIKeyVFYAZHYJVYQJLR-HLTSFMKQSA-N
XLogP1.19
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-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-[(5R)-5-methyl-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-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 153042336) is methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-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-[(5R)-5-methyl-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-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@H]1N=C(C(C)(C)C2=NC[C@@H](C)O2)O[C@@H]1C.
What is the InChIKey of methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is VFYAZHYJVYQJLR-HLTSFMKQSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-7-6-14-11(18-7)13(3,4)12-15-9(8(2)19-12)10(16)17-5/h7-9H,6H2,1-5H3/t7-,8-,9+/m1/s1.
What are the key properties of methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-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-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-5-methyl-2-[2-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 153042336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).