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

C12H14N4O2 — CID 103744474

IUPAC4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCCc2ncno2)cc1
InChIInChI=1S/C12H14N4O2/c13-12(17)10-3-1-9(2-4-10)7-14-6-5-11-15-8-16-18-11/h1-4,8,14H,5-7H2,(H2,13,17)
InChIKeyJZWKLZNIMSFYPZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.50
Rot. Bonds6

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

4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide (PubChem CID 103744474) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide
PubChem CID103744474
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCCc2ncno2)cc1
InChIInChI=1S/C12H14N4O2/c13-12(17)10-3-1-9(2-4-10)7-14-6-5-11-15-8-16-18-11/h1-4,8,14H,5-7H2,(H2,13,17)
InChIKeyJZWKLZNIMSFYPZ-UHFFFAOYSA-N
XLogP0.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.50
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

4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106403735
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103872079
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 113253256
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132
methyl 2-[2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]acetate
CID 106400053
2-methoxy-4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106400076
N-[(3-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744689
N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 102609729
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463
N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744500

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide (CID 103744474) is 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide is NC(=O)c1ccc(CNCCc2ncno2)cc1.
What is the InChIKey of 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide?
The InChIKey is JZWKLZNIMSFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-12(17)10-3-1-9(2-4-10)7-14-6-5-11-15-8-16-18-11/h1-4,8,14H,5-7H2,(H2,13,17).
What are the key properties of 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide?
4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 103744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).