N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide

C17H24N6O2 — CID 71872452

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C17H24N6O2/c1-12(24)23(10-15-19-17(25-20-15)13-3-4-13)14-5-7-22(9-14)11-16-18-6-8-21(16)2/h6,8,13-14H,3-5,7,9-11H2,1-2H3
InChIKeyQFOIXZSZQPSITG-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.30
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872452) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71872452
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C17H24N6O2/c1-12(24)23(10-15-19-17(25-20-15)13-3-4-13)14-5-7-22(9-14)11-16-18-6-8-21(16)2/h6,8,13-14H,3-5,7,9-11H2,1-2H3
InChIKeyQFOIXZSZQPSITG-UHFFFAOYSA-N
XLogP1.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (CID 71872452) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C2CC2)n1)C1CCN(Cc2nccn2C)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is QFOIXZSZQPSITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(24)23(10-15-19-17(25-20-15)13-3-4-13)14-5-7-22(9-14)11-16-18-6-8-21(16)2/h6,8,13-14H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).