2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C24H20Cl2N2O6 — CID 17163415

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)cc(OC)c1OC
InChIInChI=1S/C24H20Cl2N2O6/c1-30-20-8-13(9-21(31-2)23(20)32-3)24-28-17-11-15(5-7-19(17)34-24)27-22(29)12-33-18-6-4-14(25)10-16(18)26/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyHHZZAWPGCOGQJB-UHFFFAOYSA-N
MW503.34 g/mol
LogP5.84
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 17163415) has the molecular formula C24H20Cl2N2O6 and a molecular weight of 503.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID17163415
Molecular FormulaC24H20Cl2N2O6
Molecular Weight503.34 g/mol
Exact Mass502.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)cc(OC)c1OC
InChIInChI=1S/C24H20Cl2N2O6/c1-30-20-8-13(9-21(31-2)23(20)32-3)24-28-17-11-15(5-7-19(17)34-24)27-22(29)12-33-18-6-4-14(25)10-16(18)26/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyHHZZAWPGCOGQJB-UHFFFAOYSA-N
XLogP5.84
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.34
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163347
2-(2,4-dichloro-6-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 51447573
2-(4-chlorophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163407
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 29246489
N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4632539
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 17163415) is 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)cc(OC)c1OC.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is HHZZAWPGCOGQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O6/c1-30-20-8-13(9-21(31-2)23(20)32-3)24-28-17-11-15(5-7-19(17)34-24)27-22(29)12-33-18-6-4-14(25)10-16(18)26/h4-11H,12H2,1-3H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 503.34 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 17163415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).