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

C24H21N3O4 — CID 3236979

IUPAC2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1
InChIInChI=1S/C24H21N3O4/c1-29-20-8-5-7-18(14-20)24-26-23(27-31-24)16-10-12-19(13-11-16)25-22(28)15-17-6-3-4-9-21(17)30-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyFCERKWLJIGNRPV-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.60
Rot. Bonds7

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

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 3236979) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID3236979
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1
InChIInChI=1S/C24H21N3O4/c1-29-20-8-5-7-18(14-20)24-26-23(27-31-24)16-10-12-19(13-11-16)25-22(28)15-17-6-3-4-9-21(17)30-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyFCERKWLJIGNRPV-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 3236979) is 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is FCERKWLJIGNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-20-8-5-7-18(14-20)24-26-23(27-31-24)16-10-12-19(13-11-16)25-22(28)15-17-6-3-4-9-21(17)30-2/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-(2-methoxyphenyl)-N-[4-[5-(3-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-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 3236979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).