5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C13H19N3O4 — CID 164631414

IUPAC5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(=O)N1CC[C@H](NC(=O)c2cc(COC)on2)C1
InChIInChI=1S/C13H19N3O4/c1-3-12(17)16-5-4-9(7-16)14-13(18)11-6-10(8-19-2)20-15-11/h6,9H,3-5,7-8H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyOWHCWCLTUNILGS-VIFPVBQESA-N
MW281.31 g/mol
LogP0.56
Rot. Bonds5

About 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 164631414) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID164631414
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(=O)N1CC[C@H](NC(=O)c2cc(COC)on2)C1
InChIInChI=1S/C13H19N3O4/c1-3-12(17)16-5-4-9(7-16)14-13(18)11-6-10(8-19-2)20-15-11/h6,9H,3-5,7-8H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyOWHCWCLTUNILGS-VIFPVBQESA-N
XLogP0.56
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 164631414) is 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CCC(=O)N1CC[C@H](NC(=O)c2cc(COC)on2)C1.
What is the InChIKey of 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OWHCWCLTUNILGS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-12(17)16-5-4-9(7-16)14-13(18)11-6-10(8-19-2)20-15-11/h6,9H,3-5,7-8H2,1-2H3,(H,14,18)/t9-/m0/s1.
What are the key properties of 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164631414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).