N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

C24H30N4O2S — CID 21108980

IUPACN-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2nnc(CSCCCc3ccccc3)o2)cc1
InChIInChI=1S/C24H30N4O2S/c1-28(2)16-7-15-25-23(29)20-11-13-21(14-12-20)24-27-26-22(30-24)18-31-17-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14H,6-7,10,15-18H2,1-2H3,(H,25,29)
InChIKeyXUNITJHUYHWAJZ-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.28
Rot. Bonds12

About N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 21108980) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID21108980
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC NameN-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2nnc(CSCCCc3ccccc3)o2)cc1
InChIInChI=1S/C24H30N4O2S/c1-28(2)16-7-15-25-23(29)20-11-13-21(14-12-20)24-27-26-22(30-24)18-31-17-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14H,6-7,10,15-18H2,1-2H3,(H,25,29)
InChIKeyXUNITJHUYHWAJZ-UHFFFAOYSA-N
XLogP4.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]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-[3-(dimethylamino)propyl]-4-[5-(7-phenylheptyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 58884787
N-[3-(dimethylamino)propyl]-4-[5-(4-phenoxybutylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108982
4-(5-benzyl-1,3,4-oxadiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 21108809
N-[3-(dimethylamino)propyl]-4-[5-(2-phenoxyethoxysulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108971
N-[3-(dimethylamino)propyl]-3-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108966
N-[3-(N-ethylanilino)propyl]-4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108997
N-[3-(dimethylamino)propyl]-4-[5-(3-phenoxypropoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108975
1-[3-(dimethylamino)propyl]-3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]urea
CID 10366764
N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108996
N-[3-(dimethylamino)propyl]-4-[5-[(5-phenoxypentanoylamino)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 21108984
N-[2-(dimethylamino)ethyl]-3-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108957
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 21108980) is N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2nnc(CSCCCc3ccccc3)o2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is XUNITJHUYHWAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-28(2)16-7-15-25-23(29)20-11-13-21(14-12-20)24-27-26-22(30-24)18-31-17-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14H,6-7,10,15-18H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 438.60 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 21108980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).