N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine

C20H17ClN4O — CID 90671389

IUPACN-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
SMILESClc1cccc(-c2nnc(C(NCc3ccccc3)c3ccc[nH]3)o2)c1
InChIInChI=1S/C20H17ClN4O/c21-16-9-4-8-15(12-16)19-24-25-20(26-19)18(17-10-5-11-22-17)23-13-14-6-2-1-3-7-14/h1-12,18,22-23H,13H2
InChIKeyBWESNURLQGMKOD-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.60
Rot. Bonds6

About N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine

N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 90671389) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
PubChem CID90671389
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC NameN-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
SMILESClc1cccc(-c2nnc(C(NCc3ccccc3)c3ccc[nH]3)o2)c1
InChIInChI=1S/C20H17ClN4O/c21-16-9-4-8-15(12-16)19-24-25-20(26-19)18(17-10-5-11-22-17)23-13-14-6-2-1-3-7-14/h1-12,18,22-23H,13H2
InChIKeyBWESNURLQGMKOD-UHFFFAOYSA-N
XLogP4.60
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine 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

1-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylphenyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 86287981
1-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 86287983
N-benzyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 90671393
N-[(2-Chloro-4-fluorophenyl)methyl]-2-[5-(pyridin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 52906403
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 53620724
2-(4-chlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazole
CID 72204095
2-(3-chlorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazole
CID 72204096
2-(3-chlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazole
CID 72204097
N-benzyl-1-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 86287779
N-benzyl-1-[5-(2,4-dichloro-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 86287844
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 86287982
N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine
CID 90671388

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine (CID 90671389) is N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine is Clc1cccc(-c2nnc(C(NCc3ccccc3)c3ccc[nH]3)o2)c1.
What is the InChIKey of N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is BWESNURLQGMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-9-4-8-15(12-16)19-24-25-20(26-19)18(17-10-5-11-22-17)23-13-14-6-2-1-3-7-14/h1-12,18,22-23H,13H2.
What are the key properties of N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine?
N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 364.84 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 90671389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).