5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide

C13H19N3O3 — CID 122556326

IUPAC5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C13H19N3O3/c1-9-12(14-8-19-9)13(17)15-10-6-18-7-11(10)16-4-2-3-5-16/h8,10-11H,2-7H2,1H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyLNHAXTSRTRKUSJ-QWRGUYRKSA-N
MW265.31 g/mol
LogP0.58
Rot. Bonds3

About 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide

5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 122556326) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID122556326
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C13H19N3O3/c1-9-12(14-8-19-9)13(17)15-10-6-18-7-11(10)16-4-2-3-5-16/h8,10-11H,2-7H2,1H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyLNHAXTSRTRKUSJ-QWRGUYRKSA-N
XLogP0.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide (CID 122556326) is 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LNHAXTSRTRKUSJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-12(14-8-19-9)13(17)15-10-6-18-7-11(10)16-4-2-3-5-16/h8,10-11H,2-7H2,1H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122556326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).