5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C13H21N5O3 — CID 70714832

IUPAC5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCC[C@@H]1CN(Cc2nc(C(N)=O)no2)C[C@H]1NC(C)=O
InChIInChI=1S/C13H21N5O3/c1-3-4-9-5-18(6-10(9)15-8(2)19)7-11-16-13(12(14)20)17-21-11/h9-10H,3-7H2,1-2H3,(H2,14,20)(H,15,19)/t9-,10-/m1/s1
InChIKeyTZYDUWAFOLPLMA-NXEZZACHSA-N
MW295.34 g/mol
LogP-0.09
Rot. Bonds6

About 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 70714832) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID70714832
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCC[C@@H]1CN(Cc2nc(C(N)=O)no2)C[C@H]1NC(C)=O
InChIInChI=1S/C13H21N5O3/c1-3-4-9-5-18(6-10(9)15-8(2)19)7-11-16-13(12(14)20)17-21-11/h9-10H,3-7H2,1-2H3,(H2,14,20)(H,15,19)/t9-,10-/m1/s1
InChIKeyTZYDUWAFOLPLMA-NXEZZACHSA-N
XLogP-0.09
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 70714832) is 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is CCC[C@@H]1CN(Cc2nc(C(N)=O)no2)C[C@H]1NC(C)=O.
What is the InChIKey of 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is TZYDUWAFOLPLMA-NXEZZACHSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-4-9-5-18(6-10(9)15-8(2)19)7-11-16-13(12(14)20)17-21-11/h9-10H,3-7H2,1-2H3,(H2,14,20)(H,15,19)/t9-,10-/m1/s1.
What are the key properties of 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 70714832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).