4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide

C13H16N4O2 — CID 81171388

IUPAC4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCc1ccon1
InChIInChI=1S/C13H16N4O2/c1-2-15-13(18)11-4-3-9(14)7-12(11)16-8-10-5-6-19-17-10/h3-7,16H,2,8,14H2,1H3,(H,15,18)
InChIKeySCIUMCZJVZIWBI-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.62
Rot. Bonds5

About 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide

4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide (PubChem CID 81171388) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
PubChem CID81171388
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCc1ccon1
InChIInChI=1S/C13H16N4O2/c1-2-15-13(18)11-4-3-9(14)7-12(11)16-8-10-5-6-19-17-10/h3-7,16H,2,8,14H2,1H3,(H,15,18)
InChIKeySCIUMCZJVZIWBI-UHFFFAOYSA-N
XLogP1.62
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide (CID 81171388) is 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide is CCNC(=O)c1ccc(N)cc1NCc1ccon1.
What is the InChIKey of 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide?
The InChIKey is SCIUMCZJVZIWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-15-13(18)11-4-3-9(14)7-12(11)16-8-10-5-6-19-17-10/h3-7,16H,2,8,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide?
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide is sourced from PubChem (CID 81171388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).