N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide

C14H24N4O2 — CID 75414890

IUPACN-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1noc(CN(CC)C2CC2)n1
InChIInChI=1S/C14H24N4O2/c1-3-5-8-15-13(19)9-12-16-14(20-17-12)10-18(4-2)11-6-7-11/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyMXKCFUDAVNIHEI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.51
Rot. Bonds9

About N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide

N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 75414890) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID75414890
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1noc(CN(CC)C2CC2)n1
InChIInChI=1S/C14H24N4O2/c1-3-5-8-15-13(19)9-12-16-14(20-17-12)10-18(4-2)11-6-7-11/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyMXKCFUDAVNIHEI-UHFFFAOYSA-N
XLogP1.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 75414890) is N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide is CCCCNC(=O)Cc1noc(CN(CC)C2CC2)n1.
What is the InChIKey of N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is MXKCFUDAVNIHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-8-15-13(19)9-12-16-14(20-17-12)10-18(4-2)11-6-7-11/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-[[cyclopropyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 75414890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).