2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide

C17H16N2O3 — CID 91678694

IUPAC2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
SMILESCCc1ccc2oc(-c3ccc(OCC(N)=O)cc3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-2-11-3-8-15-14(9-11)19-17(22-15)12-4-6-13(7-5-12)21-10-16(18)20/h3-9H,2,10H2,1H3,(H2,18,20)
InChIKeyDYTREKVRGHDRMY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.92
Rot. Bonds5

About 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide

2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide (PubChem CID 91678694) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
PubChem CID91678694
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
SMILESCCc1ccc2oc(-c3ccc(OCC(N)=O)cc3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-2-11-3-8-15-14(9-11)19-17(22-15)12-4-6-13(7-5-12)21-10-16(18)20/h3-9H,2,10H2,1H3,(H2,18,20)
InChIKeyDYTREKVRGHDRMY-UHFFFAOYSA-N
XLogP2.92
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]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

2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1362782
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
octyl 2-(4-decoxyphenyl)-1,3-benzoxazole-5-carboxylate
CID 19795413
2-(4-decoxyphenyl)-5-octyl-1,3-benzoxazole
CID 19021149
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide (CID 91678694) is 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide is CCc1ccc2oc(-c3ccc(OCC(N)=O)cc3)nc2c1.
What is the InChIKey of 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide?
The InChIKey is DYTREKVRGHDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-11-3-8-15-14(9-11)19-17(22-15)12-4-6-13(7-5-12)21-10-16(18)20/h3-9H,2,10H2,1H3,(H2,18,20).
What are the key properties of 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide?
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 91678694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).