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

C24H21N3O4 — CID 2201684

IUPAC2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4OC)n3)cc2)cc1
InChIInChI=1S/C24H21N3O4/c1-29-19-13-7-16(8-14-19)15-22(28)25-18-11-9-17(10-12-18)23-26-24(31-27-23)20-5-3-4-6-21(20)30-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeySIDILBUGJMJEAP-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.60
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 2201684) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID2201684
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4OC)n3)cc2)cc1
InChIInChI=1S/C24H21N3O4/c1-29-19-13-7-16(8-14-19)15-22(28)25-18-11-9-17(10-12-18)23-26-24(31-27-23)20-5-3-4-6-21(20)30-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeySIDILBUGJMJEAP-UHFFFAOYSA-N
XLogP4.60
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665754
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
Phenol, 2-[3-[2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]-
CID 5296010
6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
CID 664662
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(2-methoxyphenyl)acetamide
CID 2202984
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-methoxyphenyl)acetamide
CID 3236909
2-(4-methoxyphenyl)-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3240741
3-[5-(2-Ethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-7-methyl-quinolin-2-ol
CID 651486

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 2201684) is 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4OC)n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is SIDILBUGJMJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-19-13-7-16(8-14-19)15-22(28)25-18-11-9-17(10-12-18)23-26-24(31-27-23)20-5-3-4-6-21(20)30-2/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 2201684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).