N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C14H18N4O2 — CID 119507620

IUPACN-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCNCCNC(=O)c1ccccc1-c1nc(C)no1
InChIInChI=1S/C14H18N4O2/c1-3-15-8-9-16-13(19)11-6-4-5-7-12(11)14-17-10(2)18-20-14/h4-7,15H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyRATPVPLYHJIZPC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 119507620) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID119507620
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCNCCNC(=O)c1ccccc1-c1nc(C)no1
InChIInChI=1S/C14H18N4O2/c1-3-15-8-9-16-13(19)11-6-4-5-7-12(11)14-17-10(2)18-20-14/h4-7,15H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyRATPVPLYHJIZPC-UHFFFAOYSA-N
XLogP1.38
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 119507620) is N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is CCNCCNC(=O)c1ccccc1-c1nc(C)no1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is RATPVPLYHJIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-15-8-9-16-13(19)11-6-4-5-7-12(11)14-17-10(2)18-20-14/h4-7,15H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 119507620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).