methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate

C12H18N2O4 — CID 58984961

IUPACmethyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1cnc([C@@H]2C[C@H](OC)CN2)o1
InChIInChI=1S/C12H18N2O4/c1-16-9-5-10(13-7-9)12-14-6-8(18-12)3-4-11(15)17-2/h6,9-10,13H,3-5,7H2,1-2H3/t9-,10-/m0/s1
InChIKeyDIVHXHLYSZIAAU-UWVGGRQHSA-N
MW254.29 g/mol
LogP0.83
Rot. Bonds5

About methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate

methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate (PubChem CID 58984961) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate
PubChem CID58984961
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1cnc([C@@H]2C[C@H](OC)CN2)o1
InChIInChI=1S/C12H18N2O4/c1-16-9-5-10(13-7-9)12-14-6-8(18-12)3-4-11(15)17-2/h6,9-10,13H,3-5,7H2,1-2H3/t9-,10-/m0/s1
InChIKeyDIVHXHLYSZIAAU-UWVGGRQHSA-N
XLogP0.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
The IUPAC name of methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate (CID 58984961) is methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate is COC(=O)CCc1cnc([C@@H]2C[C@H](OC)CN2)o1.
What is the InChIKey of methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
The InChIKey is DIVHXHLYSZIAAU-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-9-5-10(13-7-9)12-14-6-8(18-12)3-4-11(15)17-2/h6,9-10,13H,3-5,7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate has a molecular weight of 254.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate is sourced from PubChem (CID 58984961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).