N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide

C21H22N4O3 — CID 46401361

IUPACN,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H22N4O3/c1-25(2)21(27)17-10-6-7-15(13-17)14-22-18(26)11-12-19-23-24-20(28-19)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,26)
InChIKeyNQGVIOMPVFWKKA-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.69
Rot. Bonds7

About N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide

N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide (PubChem CID 46401361) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
PubChem CID46401361
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H22N4O3/c1-25(2)21(27)17-10-6-7-15(13-17)14-22-18(26)11-12-19-23-24-20(28-19)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,26)
InChIKeyNQGVIOMPVFWKKA-UHFFFAOYSA-N
XLogP2.69
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46494458
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30527770

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide (CID 46401361) is N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide is CN(C)C(=O)c1cccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
The InChIKey is NQGVIOMPVFWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(2)21(27)17-10-6-7-15(13-17)14-22-18(26)11-12-19-23-24-20(28-19)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 46401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).