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

C25H21Cl2N3O6 — CID 43903836

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCOc1cc(-c2noc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C25H21Cl2N3O6/c1-32-20-10-14(11-21(33-2)23(20)34-3)24-29-25(36-30-24)16-6-4-5-7-18(16)28-22(31)13-35-19-9-8-15(26)12-17(19)27/h4-12H,13H2,1-3H3,(H,28,31)
InChIKeyJYBBKDPDCYZQLN-UHFFFAOYSA-N
MW530.36 g/mol
LogP5.75
Rot. Bonds9

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

2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 43903836) has the molecular formula C25H21Cl2N3O6 and a molecular weight of 530.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID43903836
Molecular FormulaC25H21Cl2N3O6
Molecular Weight530.36 g/mol
Exact Mass529.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCOc1cc(-c2noc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C25H21Cl2N3O6/c1-32-20-10-14(11-21(33-2)23(20)34-3)24-29-25(36-30-24)16-6-4-5-7-18(16)28-22(31)13-35-19-9-8-15(26)12-17(19)27/h4-12H,13H2,1-3H3,(H,28,31)
InChIKeyJYBBKDPDCYZQLN-UHFFFAOYSA-N
XLogP5.75
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.36
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331308
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830
N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 2013125
1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide
CID 30334358
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
2-(2,4-dichlorophenoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163415
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 43903836) is 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is COc1cc(-c2noc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3Cl)n2)cc(OC)c1OC.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is JYBBKDPDCYZQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O6/c1-32-20-10-14(11-21(33-2)23(20)34-3)24-29-25(36-30-24)16-6-4-5-7-18(16)28-22(31)13-35-19-9-8-15(26)12-17(19)27/h4-12H,13H2,1-3H3,(H,28,31).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 530.36 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 43903836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).