1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one

C13H21N3O2 — CID 115077307

IUPAC1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(CC2CCN(C(C)C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-5-4-11(8-16)7-13-14-12(15-18-13)6-10(3)17/h9,11H,4-8H2,1-3H3
InChIKeyMIFPBDQOTSHOOP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds5

About 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one

1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one (PubChem CID 115077307) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
PubChem CID115077307
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(CC2CCN(C(C)C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-5-4-11(8-16)7-13-14-12(15-18-13)6-10(3)17/h9,11H,4-8H2,1-3H3
InChIKeyMIFPBDQOTSHOOP-UHFFFAOYSA-N
XLogP1.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one with MolForge

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Related Compounds

2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081314
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081310
2-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077578
1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080074
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115090064
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazole-3-carbaldehyde
CID 115078505
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081479
2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077226

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one (CID 115077307) is 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one is CC(=O)Cc1noc(CC2CCN(C(C)C)C2)n1.
What is the InChIKey of 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one?
The InChIKey is MIFPBDQOTSHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16-5-4-11(8-16)7-13-14-12(15-18-13)6-10(3)17/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one?
1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one is sourced from PubChem (CID 115077307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).