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

C13H22N4O2 — CID 47020617

IUPAC2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCc1noc(CN(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-6-11-14-12(19-15-11)9-16(2)10-13(18)17-7-4-5-8-17/h3-10H2,1-2H3
InChIKeyWIIKXRLXRKQAAF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds6

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

2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 47020617) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID47020617
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCc1noc(CN(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-6-11-14-12(19-15-11)9-16(2)10-13(18)17-7-4-5-8-17/h3-10H2,1-2H3
InChIKeyWIIKXRLXRKQAAF-UHFFFAOYSA-N
XLogP1.08
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (CID 47020617) is 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is CCCc1noc(CN(C)CC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is WIIKXRLXRKQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-6-11-14-12(19-15-11)9-16(2)10-13(18)17-7-4-5-8-17/h3-10H2,1-2H3.
What are the key properties of 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 266.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47020617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).