3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

C13H22N4O2 — CID 119511913

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)c1noc(CCC(=O)NCC2CCCN2)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)13-16-12(19-17-13)6-5-11(18)15-8-10-4-3-7-14-10/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyJSCIVJPXYUZLFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.99
Rot. Bonds6

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119511913) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119511913
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)c1noc(CCC(=O)NCC2CCCN2)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)13-16-12(19-17-13)6-5-11(18)15-8-10-4-3-7-14-10/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyJSCIVJPXYUZLFG-UHFFFAOYSA-N
XLogP0.99
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Propan-2-yl)-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62388483
N-(cyclopropylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 45884185
N-(oxolan-3-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53498480
1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 53537955
1-ethyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 53538041
1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 53538082
1-cyclopentyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 53538196
1-(cyclopropylmethyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 53538253
2-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-methyl-2-oxoethanamine
CID 56862607
2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide
CID 71872449
1-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 71872959
3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 72123745

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119511913) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is CC(C)c1noc(CCC(=O)NCC2CCCN2)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is JSCIVJPXYUZLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)13-16-12(19-17-13)6-5-11(18)15-8-10-4-3-7-14-10/h9-10,14H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119511913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).