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

C17H26N6O2 — CID 71872456

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)C2CCN(CCc3cnn(C)c3)C2)no1
InChIInChI=1S/C17H26N6O2/c1-4-17-19-16(20-25-17)12-23(13(2)24)15-6-8-22(11-15)7-5-14-9-18-21(3)10-14/h9-10,15H,4-8,11-12H2,1-3H3
InChIKeyGJGOAQXQRIZJCC-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.03
Rot. Bonds7

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872456) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID71872456
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)C2CCN(CCc3cnn(C)c3)C2)no1
InChIInChI=1S/C17H26N6O2/c1-4-17-19-16(20-25-17)12-23(13(2)24)15-6-8-22(11-15)7-5-14-9-18-21(3)10-14/h9-10,15H,4-8,11-12H2,1-3H3
InChIKeyGJGOAQXQRIZJCC-UHFFFAOYSA-N
XLogP1.03
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 71872456) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide is CCc1nc(CN(C(C)=O)C2CCN(CCc3cnn(C)c3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GJGOAQXQRIZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-17-19-16(20-25-17)12-23(13(2)24)15-6-8-22(11-15)7-5-14-9-18-21(3)10-14/h9-10,15H,4-8,11-12H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 1.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).