N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide

C25H23N3O3 — CID 42797745

IUPACN-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
SMILESCc1cccc(-c2noc(C(Cc3ccccc3)NC(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C25H23N3O3/c1-18-9-8-12-20(15-18)24-27-25(31-28-24)22(16-19-10-4-2-5-11-19)26-23(29)17-30-21-13-6-3-7-14-21/h2-15,22H,16-17H2,1H3,(H,26,29)
InChIKeyGQNMFEUGVKZXGR-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.52
Rot. Bonds8

About N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide

N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide (PubChem CID 42797745) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
PubChem CID42797745
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
SMILESCc1cccc(-c2noc(C(Cc3ccccc3)NC(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C25H23N3O3/c1-18-9-8-12-20(15-18)24-27-25(31-28-24)22(16-19-10-4-2-5-11-19)26-23(29)17-30-21-13-6-3-7-14-21/h2-15,22H,16-17H2,1H3,(H,26,29)
InChIKeyGQNMFEUGVKZXGR-UHFFFAOYSA-N
XLogP4.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
1-(4-cyanophenyl)-3-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]urea
CID 42797891
1-(3-cyanophenyl)-3-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]urea
CID 42797901
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenylmethoxyacetamide
CID 42797778
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 83284501
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 97038139
2-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 5044252
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 83286620

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide (CID 42797745) is N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide is Cc1cccc(-c2noc(C(Cc3ccccc3)NC(=O)COc3ccccc3)n2)c1.
What is the InChIKey of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide?
The InChIKey is GQNMFEUGVKZXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-18-9-8-12-20(15-18)24-27-25(31-28-24)22(16-19-10-4-2-5-11-19)26-23(29)17-30-21-13-6-3-7-14-21/h2-15,22H,16-17H2,1H3,(H,26,29).
What are the key properties of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide?
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide has a molecular weight of 413.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide is sourced from PubChem (CID 42797745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).