N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide

C23H20N2O3 — CID 15987509

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-15-3-10-19(11-4-15)27-14-22(26)24-18-8-6-17(7-9-18)23-25-20-12-5-16(2)13-21(20)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyNOKVCZNGVOGTFB-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.13
Rot. Bonds5

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 15987509) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID15987509
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-15-3-10-19(11-4-15)27-14-22(26)24-18-8-6-17(7-9-18)23-25-20-12-5-16(2)13-21(20)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyNOKVCZNGVOGTFB-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 N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide 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 N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 15987509) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is NOKVCZNGVOGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-3-10-19(11-4-15)27-14-22(26)24-18-8-6-17(7-9-18)23-25-20-12-5-16(2)13-21(20)28-23/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)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 N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 15987509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).