N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C14H14N4O3 — CID 115620138

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCc1ncc[nH]1
InChIInChI=1S/C14H14N4O3/c19-13(17-6-5-12-15-7-8-16-12)9-18-10-3-1-2-4-11(10)21-14(18)20/h1-4,7-8H,5-6,9H2,(H,15,16)(H,17,19)
InChIKeySGXQLQWSGUJSDN-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 115620138) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID115620138
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCc1ncc[nH]1
InChIInChI=1S/C14H14N4O3/c19-13(17-6-5-12-15-7-8-16-12)9-18-10-3-1-2-4-11(10)21-14(18)20/h1-4,7-8H,5-6,9H2,(H,15,16)(H,17,19)
InChIKeySGXQLQWSGUJSDN-UHFFFAOYSA-N
XLogP0.68
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
CID 71808214
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115649624
N-[3-(1,2-oxazol-4-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91814413
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 131891106
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55456905

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 115620138) is N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SGXQLQWSGUJSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(17-6-5-12-15-7-8-16-12)9-18-10-3-1-2-4-11(10)21-14(18)20/h1-4,7-8H,5-6,9H2,(H,15,16)(H,17,19).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 286.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 115620138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).