N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

C23H19ClN2O3 — CID 1361397

IUPACN-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c1-3-28-17-8-5-15(6-9-17)22(27)25-20-13-16(7-10-18(20)24)23-26-19-11-4-14(2)12-21(19)29-23/h4-13H,3H2,1-2H3,(H,25,27)
InChIKeyWKECGRBEDKDQGT-UHFFFAOYSA-N
MW406.87 g/mol
LogP6.11
Rot. Bonds5

About N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide (PubChem CID 1361397) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
PubChem CID1361397
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c1-3-28-17-8-5-15(6-9-17)22(27)25-20-13-16(7-10-18(20)24)23-26-19-11-4-14(2)12-21(19)29-23/h4-13H,3H2,1-2H3,(H,25,27)
InChIKeyWKECGRBEDKDQGT-UHFFFAOYSA-N
XLogP6.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide 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

3-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
CID 4518075
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2911706
2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
CID 3629314
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090032
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17110571
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782318
3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1363581
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 2298639
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 21212623
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
CID 3285885

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide (CID 1361397) is N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The InChIKey is WKECGRBEDKDQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-3-28-17-8-5-15(6-9-17)22(27)25-20-13-16(7-10-18(20)24)23-26-19-11-4-14(2)12-21(19)29-23/h4-13H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide has a molecular weight of 406.87 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 1361397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).