N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide

C23H20N2O4 — CID 1115170

IUPACN-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1
InChIInChI=1S/C23H20N2O4/c1-14-4-3-5-17(10-14)28-13-22(27)24-16-7-8-18(20(26)12-16)23-25-19-11-15(2)6-9-21(19)29-23/h3-12,26H,13H2,1-2H3,(H,24,27)
InChIKeyXZMYKVFMRLZZGR-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.83
Rot. Bonds5

About N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide

N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 1115170) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID1115170
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1
InChIInChI=1S/C23H20N2O4/c1-14-4-3-5-17(10-14)28-13-22(27)24-16-7-8-18(20(26)12-16)23-25-19-11-15(2)6-9-21(19)29-23/h3-12,26H,13H2,1-2H3,(H,24,27)
InChIKeyXZMYKVFMRLZZGR-UHFFFAOYSA-N
XLogP4.83
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-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-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide (CID 1115170) is N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1.
What is the InChIKey of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is XZMYKVFMRLZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-4-3-5-17(10-14)28-13-22(27)24-16-7-8-18(20(26)12-16)23-25-19-11-15(2)6-9-21(19)29-23/h3-12,26H,13H2,1-2H3,(H,24,27).
What are the key properties of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 388.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 1115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).