3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide

C24H21N3O3S — CID 100760794

IUPAC3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
SMILESCOc1cccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)c1
InChIInChI=1S/C24H21N3O3S/c1-29-18-9-7-8-17(16-18)24-26-23(30-27-24)15-14-22(28)25-20-12-5-6-13-21(20)31-19-10-3-2-4-11-19/h2-13,16H,14-15H2,1H3,(H,25,28)
InChIKeyFEXMCDPDHKXGLY-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.47
Rot. Bonds8

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

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 100760794) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID100760794
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
SMILESCOc1cccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)c1
InChIInChI=1S/C24H21N3O3S/c1-29-18-9-7-8-17(16-18)24-26-23(30-27-24)15-14-22(28)25-20-12-5-6-13-21(20)31-19-10-3-2-4-11-19/h2-13,16H,14-15H2,1H3,(H,25,28)
InChIKeyFEXMCDPDHKXGLY-UHFFFAOYSA-N
XLogP5.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide 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

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 100761122
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 100758550
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
N-(2-phenylsulfanylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756344
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 95990367
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 100760807
N-(2-phenylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24655609

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide (CID 100760794) is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide is COc1cccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is FEXMCDPDHKXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-29-18-9-7-8-17(16-18)24-26-23(30-27-24)15-14-22(28)25-20-12-5-6-13-21(20)31-19-10-3-2-4-11-19/h2-13,16H,14-15H2,1H3,(H,25,28).
What are the key properties of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide?
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 431.52 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 100760794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).