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

C13H16N4O2 — CID 119508201

IUPACN-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCCNCCNC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C13H16N4O2/c1-2-14-7-8-15-13(18)11-5-3-10(4-6-11)12-16-9-19-17-12/h3-6,9,14H,2,7-8H2,1H3,(H,15,18)
InChIKeyFYWQMWXEYWMDCC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.08
Rot. Bonds6

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

N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 119508201) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID119508201
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCCNCCNC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C13H16N4O2/c1-2-14-7-8-15-13(18)11-5-3-10(4-6-11)12-16-9-19-17-12/h3-6,9,14H,2,7-8H2,1H3,(H,15,18)
InChIKeyFYWQMWXEYWMDCC-UHFFFAOYSA-N
XLogP1.08
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.08
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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Related Compounds

N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393529
N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 166370425
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393528
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119508865
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 119508201) is N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is CCNCCNC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is FYWQMWXEYWMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-14-7-8-15-13(18)11-5-3-10(4-6-11)12-16-9-19-17-12/h3-6,9,14H,2,7-8H2,1H3,(H,15,18).
What are the key properties of N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.08, 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]-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 119508201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).