2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C13H22N4O3 — CID 115772830

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCC(CCO)C2)o1
InChIInChI=1S/C13H22N4O3/c1-9(2)12-15-16-13(20-12)14-11(19)8-17-5-3-10(7-17)4-6-18/h9-10,18H,3-8H2,1-2H3,(H,14,16,19)
InChIKeyAKLYYBHYCZKKKU-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.84
Rot. Bonds6

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 115772830) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID115772830
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCC(CCO)C2)o1
InChIInChI=1S/C13H22N4O3/c1-9(2)12-15-16-13(20-12)14-11(19)8-17-5-3-10(7-17)4-6-18/h9-10,18H,3-8H2,1-2H3,(H,14,16,19)
InChIKeyAKLYYBHYCZKKKU-UHFFFAOYSA-N
XLogP0.84
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 65249493
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 55064652
2-[3-(methylamino)piperidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 62545628
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 103576957
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 115647959
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 63264474
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 116637793
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 115648416
2-(3-hydroxypyrrolidin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62918342
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 115772830) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CN2CCC(CCO)C2)o1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is AKLYYBHYCZKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)12-15-16-13(20-12)14-11(19)8-17-5-3-10(7-17)4-6-18/h9-10,18H,3-8H2,1-2H3,(H,14,16,19).
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 115772830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).