2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

C23H20N2O3 — CID 1335782

IUPAC2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1
InChIInChI=1S/C23H20N2O3/c1-15-10-16(2)12-19(11-15)27-14-22(26)24-18-8-9-21-20(13-18)25-23(28-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyHWGHBSVWPJUPEF-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.13
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 1335782) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID1335782
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1
InChIInChI=1S/C23H20N2O3/c1-15-10-16(2)12-19(11-15)27-14-22(26)24-18-8-9-21-20(13-18)25-23(28-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyHWGHBSVWPJUPEF-UHFFFAOYSA-N
XLogP5.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-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-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117072
2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide
CID 5259184
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 23824736
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-(2-nitrophenoxy)acetamide
CID 1256188
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (CID 1335782) is 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is HWGHBSVWPJUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-10-16(2)12-19(11-15)27-14-22(26)24-18-8-9-21-20(13-18)25-23(28-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 1335782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).