4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C23H20N2O3 — CID 1108999

IUPAC4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-3-27-19-11-7-16(8-12-19)22(26)24-18-9-5-17(6-10-18)23-25-20-14-15(2)4-13-21(20)28-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyPVCAKKSMDYQQOY-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.45
Rot. Bonds5

About 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 1108999) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID1108999
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-3-27-19-11-7-16(8-12-19)22(26)24-18-9-5-17(6-10-18)23-25-20-14-15(2)4-13-21(20)28-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyPVCAKKSMDYQQOY-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide 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 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 1108999) is 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is PVCAKKSMDYQQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-3-27-19-11-7-16(8-12-19)22(26)24-18-9-5-17(6-10-18)23-25-20-14-15(2)4-13-21(20)28-23/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).