2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide

C13H18N4O2 — CID 79893425

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H18N4O2/c1-3-15-12(18)8-17(4-2)13-16-10-6-5-9(14)7-11(10)19-13/h5-7H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyBNJJRXAWVYBDTF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.37
Rot. Bonds5

About 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide

2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide (PubChem CID 79893425) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide
PubChem CID79893425
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H18N4O2/c1-3-15-12(18)8-17(4-2)13-16-10-6-5-9(14)7-11(10)19-13/h5-7H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyBNJJRXAWVYBDTF-UHFFFAOYSA-N
XLogP1.37
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide (CID 79893425) is 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is BNJJRXAWVYBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-15-12(18)8-17(4-2)13-16-10-6-5-9(14)7-11(10)19-13/h5-7H,3-4,8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 79893425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).