N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C22H25N3O3 — CID 83284747

IUPACN-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCC(C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-4-16(2)25(22(26)17-9-6-5-7-10-17)14-13-20-23-21(24-28-20)18-11-8-12-19(15-18)27-3/h5-12,15-16H,4,13-14H2,1-3H3
InChIKeyXYELADPRHAZTSW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.23
Rot. Bonds8

About N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 83284747) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID83284747
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCC(C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-4-16(2)25(22(26)17-9-6-5-7-10-17)14-13-20-23-21(24-28-20)18-11-8-12-19(15-18)27-3/h5-12,15-16H,4,13-14H2,1-3H3
InChIKeyXYELADPRHAZTSW-UHFFFAOYSA-N
XLogP4.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 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

N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83284745
N-butan-2-yl-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 83281470
N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 98372425
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
N-butan-2-yl-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83281472
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83284666
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
CID 132673104
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110324148
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
N-butan-2-yl-4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288442

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 83284747) is N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCC(C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is XYELADPRHAZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-16(2)25(22(26)17-9-6-5-7-10-17)14-13-20-23-21(24-28-20)18-11-8-12-19(15-18)27-3/h5-12,15-16H,4,13-14H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 83284747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).