N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C27H24N4O2 — CID 24607685

IUPACN-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCCCn3ccc4ccccc43)cc2)o1
InChIInChI=1S/C27H24N4O2/c1-19-7-2-4-9-23(19)27-30-29-26(33-27)22-13-11-21(12-14-22)25(32)28-16-6-17-31-18-15-20-8-3-5-10-24(20)31/h2-5,7-15,18H,6,16-17H2,1H3,(H,28,32)
InChIKeyRIOIZMHQEVVFQI-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.49
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 24607685) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID24607685
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCCCn3ccc4ccccc43)cc2)o1
InChIInChI=1S/C27H24N4O2/c1-19-7-2-4-9-23(19)27-30-29-26(33-27)22-13-11-21(12-14-22)25(32)28-16-6-17-31-18-15-20-8-3-5-10-24(20)31/h2-5,7-15,18H,6,16-17H2,1H3,(H,28,32)
InChIKeyRIOIZMHQEVVFQI-UHFFFAOYSA-N
XLogP5.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 51328577
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55561183
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 24607685) is N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCCn3ccc4ccccc43)cc2)o1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is RIOIZMHQEVVFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-19-7-2-4-9-23(19)27-30-29-26(33-27)22-13-11-21(12-14-22)25(32)28-16-6-17-31-18-15-20-8-3-5-10-24(20)31/h2-5,7-15,18H,6,16-17H2,1H3,(H,28,32).
What are the key properties of N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 436.52 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 24607685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).