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

C24H21N3O3 — CID 1026549

IUPAC2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-9-17(10-8-16)23-26-27-24(30-23)18-11-13-20(14-12-18)25-22(28)15-19-5-3-4-6-21(19)29-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyRIFPAPXGKRZUGF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.90
Rot. Bonds6

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

2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 1026549) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID1026549
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-9-17(10-8-16)23-26-27-24(30-23)18-11-13-20(14-12-18)25-22(28)15-19-5-3-4-6-21(19)29-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyRIFPAPXGKRZUGF-UHFFFAOYSA-N
XLogP4.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 1026549) is 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is RIFPAPXGKRZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-9-17(10-8-16)23-26-27-24(30-23)18-11-13-20(14-12-18)25-22(28)15-19-5-3-4-6-21(19)29-2/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 1026549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).