2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C24H20Cl2N2O5 — CID 51447573

IUPAC2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)COc4c(C)cc(Cl)cc4Cl)ccc3o2)cc1OC
InChIInChI=1S/C24H20Cl2N2O5/c1-13-8-15(25)10-17(26)23(13)32-12-22(29)27-16-5-7-19-18(11-16)28-24(33-19)14-4-6-20(30-2)21(9-14)31-3/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyFRCKCNWLZFRTLJ-UHFFFAOYSA-N
MW487.34 g/mol
LogP6.14
Rot. Bonds7

About 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 51447573) has the molecular formula C24H20Cl2N2O5 and a molecular weight of 487.34 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID51447573
Molecular FormulaC24H20Cl2N2O5
Molecular Weight487.34 g/mol
Exact Mass486.07
IUPAC Name2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)COc4c(C)cc(Cl)cc4Cl)ccc3o2)cc1OC
InChIInChI=1S/C24H20Cl2N2O5/c1-13-8-15(25)10-17(26)23(13)32-12-22(29)27-16-5-7-19-18(11-16)28-24(33-19)14-4-6-20(30-2)21(9-14)31-3/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyFRCKCNWLZFRTLJ-UHFFFAOYSA-N
XLogP6.14
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.34
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163415
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914820
2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 51985215
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 43913529

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 51447573) is 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(=O)COc4c(C)cc(Cl)cc4Cl)ccc3o2)cc1OC.
What is the InChIKey of 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is FRCKCNWLZFRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O5/c1-13-8-15(25)10-17(26)23(13)32-12-22(29)27-16-5-7-19-18(11-16)28-24(33-19)14-4-6-20(30-2)21(9-14)31-3/h4-11H,12H2,1-3H3,(H,27,29).
What are the key properties of 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 487.34 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 51447573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).