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

C20H20N4O3 — CID 43043450

IUPACN,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H20N4O3/c1-24(2)20(26)15-9-6-10-16(13-15)21-17(25)11-12-18-22-23-19(27-18)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyPEPAWSVPVUDIJI-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.01
Rot. Bonds6

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

N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide (PubChem CID 43043450) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
PubChem CID43043450
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H20N4O3/c1-24(2)20(26)15-9-6-10-16(13-15)21-17(25)11-12-18-22-23-19(27-18)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyPEPAWSVPVUDIJI-UHFFFAOYSA-N
XLogP3.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.01
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]methyl]benzamide
CID 46401361
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330455
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334979
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330596
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide (CID 43043450) is N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide is CN(C)C(=O)c1cccc(NC(=O)CCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
The InChIKey is PEPAWSVPVUDIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24(2)20(26)15-9-6-10-16(13-15)21-17(25)11-12-18-22-23-19(27-18)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,25).
What are the key properties of N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide?
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.01, 6 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]benzamide is sourced from PubChem (CID 43043450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).