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

C29H23N3O3 — CID 30332666

IUPACN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C29H23N3O3/c1-34-23-18-16-22(17-19-23)27-31-29(35-32-27)24-14-8-9-15-25(24)30-28(33)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,30,33)
InChIKeyHBQHTJAGHSEEHE-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.18
Rot. Bonds7

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

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 30332666) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
PubChem CID30332666
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C29H23N3O3/c1-34-23-18-16-22(17-19-23)27-31-29(35-32-27)24-14-8-9-15-25(24)30-28(33)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,30,33)
InChIKeyHBQHTJAGHSEEHE-UHFFFAOYSA-N
XLogP6.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 30334645
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide (CID 30332666) is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is HBQHTJAGHSEEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-34-23-18-16-22(17-19-23)27-31-29(35-32-27)24-14-8-9-15-25(24)30-28(33)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,30,33).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide?
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 461.52 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 30332666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).