N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide

C26H25FN4O2 — CID 83283231

IUPACN-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
SMILESCN(C)c1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C26H25FN4O2/c1-30(2)23-13-11-20(12-14-23)25-28-24(33-29-25)15-16-31(18-19-7-4-3-5-8-19)26(32)21-9-6-10-22(27)17-21/h3-14,17H,15-16,18H2,1-2H3
InChIKeyNTJYDATWRKNMHE-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.83
Rot. Bonds8

About N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide

N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide (PubChem CID 83283231) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
PubChem CID83283231
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
SMILESCN(C)c1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C26H25FN4O2/c1-30(2)23-13-11-20(12-14-23)25-28-24(33-29-25)15-16-31(18-19-7-4-3-5-8-19)26(32)21-9-6-10-22(27)17-21/h3-14,17H,15-16,18H2,1-2H3
InChIKeyNTJYDATWRKNMHE-UHFFFAOYSA-N
XLogP4.83
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide 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-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83290296
3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
CID 83281960
3-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 83285272
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83283230
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
CID 8835748
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-benzyl-4-(trifluoromethyl)benzamide
CID 83290392
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 42797806
N-benzyl-2-phenylmethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 83289891
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 83283246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide (CID 83283231) is N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide is CN(C)c1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
The InChIKey is NTJYDATWRKNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-30(2)23-13-11-20(12-14-23)25-28-24(33-29-25)15-16-31(18-19-7-4-3-5-8-19)26(32)21-9-6-10-22(27)17-21/h3-14,17H,15-16,18H2,1-2H3.
What are the key properties of N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide?
N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide has a molecular weight of 444.51 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 83283231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).