N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C13H14IN7O2 — CID 5300456

IUPACN-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nc(Cn2cc(I)cn2)no1
InChIInChI=1S/C13H14IN7O2/c14-10-6-17-21(7-10)8-11-18-13(23-19-11)12(22)16-2-1-4-20-5-3-15-9-20/h3,5-7,9H,1-2,4,8H2,(H,16,22)
InChIKeyYXBJHDPVCSTOCD-UHFFFAOYSA-N
MW427.21 g/mol
LogP0.94
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5300456) has the molecular formula C13H14IN7O2 and a molecular weight of 427.21 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5300456
Molecular FormulaC13H14IN7O2
Molecular Weight427.21 g/mol
Exact Mass427.03
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nc(Cn2cc(I)cn2)no1
InChIInChI=1S/C13H14IN7O2/c14-10-6-17-21(7-10)8-11-18-13(23-19-11)12(22)16-2-1-4-20-5-3-15-9-20/h3,5-7,9H,1-2,4,8H2,(H,16,22)
InChIKeyYXBJHDPVCSTOCD-UHFFFAOYSA-N
XLogP0.94
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide 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

3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084996
3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-imidazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 5300724
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084945
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084960
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17085004
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082998
N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084961
N-[2-[(2-ethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084970
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-(3-imidazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 39035223
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35323449
N-(3-morpholin-4-ylpropyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5303250
N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 57383679

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5300456) is N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCCn1ccnc1)c1nc(Cn2cc(I)cn2)no1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YXBJHDPVCSTOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN7O2/c14-10-6-17-21(7-10)8-11-18-13(23-19-11)12(22)16-2-1-4-20-5-3-15-9-20/h3,5-7,9H,1-2,4,8H2,(H,16,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 427.21 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5300456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).