2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

C15H23N3O2 — CID 79544032

IUPAC2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCCc1noc(CN2CCCC2C2CCCC2=O)n1
InChIInChI=1S/C15H23N3O2/c1-2-5-14-16-15(20-17-14)10-18-9-4-7-12(18)11-6-3-8-13(11)19/h11-12H,2-10H2,1H3
InChIKeyILOHMQLVKJVWOS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.36
Rot. Bonds5

About 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79544032) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79544032
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCCc1noc(CN2CCCC2C2CCCC2=O)n1
InChIInChI=1S/C15H23N3O2/c1-2-5-14-16-15(20-17-14)10-18-9-4-7-12(18)11-6-3-8-13(11)19/h11-12H,2-10H2,1H3
InChIKeyILOHMQLVKJVWOS-UHFFFAOYSA-N
XLogP2.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79544032) is 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is CCCc1noc(CN2CCCC2C2CCCC2=O)n1.
What is the InChIKey of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is ILOHMQLVKJVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-5-14-16-15(20-17-14)10-18-9-4-7-12(18)11-6-3-8-13(11)19/h11-12H,2-10H2,1H3.
What are the key properties of 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 277.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79544032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).