methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate

C15H18N2O5 — CID 56805035

IUPACmethyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(-c2ccco2)oc1C
InChIInChI=1S/C15H18N2O5/c1-9-11(16-14(22-9)13-4-3-5-21-13)8-17-7-10(18)6-12(17)15(19)20-2/h3-5,10,12,18H,6-8H2,1-2H3/t10-,12+/m1/s1
InChIKeyDVVHUXOWULXJIN-PWSUYJOCSA-N
MW306.32 g/mol
LogP1.35
Rot. Bonds4

About methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 56805035) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID56805035
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(-c2ccco2)oc1C
InChIInChI=1S/C15H18N2O5/c1-9-11(16-14(22-9)13-4-3-5-21-13)8-17-7-10(18)6-12(17)15(19)20-2/h3-5,10,12,18H,6-8H2,1-2H3/t10-,12+/m1/s1
InChIKeyDVVHUXOWULXJIN-PWSUYJOCSA-N
XLogP1.35
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate (CID 56805035) is methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(-c2ccco2)oc1C.
What is the InChIKey of methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is DVVHUXOWULXJIN-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9-11(16-14(22-9)13-4-3-5-21-13)8-17-7-10(18)6-12(17)15(19)20-2/h3-5,10,12,18H,6-8H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 56805035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).