3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

C23H18Cl2N2O5 — CID 17128466

IUPAC3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1OC
InChIInChI=1S/C23H18Cl2N2O5/c1-29-19-6-4-12(8-20(19)30-2)23-27-17-11-14(5-7-18(17)32-23)26-22(28)15-9-13(24)10-16(25)21(15)31-3/h4-11H,1-3H3,(H,26,28)
InChIKeyOALDAKCEGLZTQX-UHFFFAOYSA-N
MW473.31 g/mol
LogP6.08
Rot. Bonds6

About 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide (PubChem CID 17128466) has the molecular formula C23H18Cl2N2O5 and a molecular weight of 473.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
PubChem CID17128466
Molecular FormulaC23H18Cl2N2O5
Molecular Weight473.31 g/mol
Exact Mass472.06
IUPAC Name3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1OC
InChIInChI=1S/C23H18Cl2N2O5/c1-29-19-6-4-12(8-20(19)30-2)23-27-17-11-14(5-7-18(17)32-23)26-22(28)15-9-13(24)10-16(25)21(15)31-3/h4-11H,1-3H3,(H,26,28)
InChIKeyOALDAKCEGLZTQX-UHFFFAOYSA-N
XLogP6.08
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.31
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide 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-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 43913529
3,5-dichloro-2-methoxy-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17117163
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594
2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2279423
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 51447573
3,5-dichloro-N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide
CID 17314643
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128532
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide (CID 17128466) is 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide is COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1OC.
What is the InChIKey of 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
The InChIKey is OALDAKCEGLZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5/c1-29-19-6-4-12(8-20(19)30-2)23-27-17-11-14(5-7-18(17)32-23)26-22(28)15-9-13(24)10-16(25)21(15)31-3/h4-11H,1-3H3,(H,26,28).
What are the key properties of 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide has a molecular weight of 473.31 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 17128466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).