3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

C14H13ClN8O3 — CID 16765845

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1cnccn1
InChIInChI=1S/C14H13ClN8O3/c15-9-5-20-23(7-9)8-11-21-14(26-22-11)13(25)19-4-3-18-12(24)10-6-16-1-2-17-10/h1-2,5-7H,3-4,8H2,(H,18,24)(H,19,25)
InChIKeyAJOAFRGWDMBNRF-UHFFFAOYSA-N
MW376.76 g/mol
LogP-0.08
Rot. Bonds7

About 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765845) has the molecular formula C14H13ClN8O3 and a molecular weight of 376.76 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765845
Molecular FormulaC14H13ClN8O3
Molecular Weight376.76 g/mol
Exact Mass376.08
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1cnccn1
InChIInChI=1S/C14H13ClN8O3/c15-9-5-20-23(7-9)8-11-21-14(26-22-11)13(25)19-4-3-18-12(24)10-6-16-1-2-17-10/h1-2,5-7H,3-4,8H2,(H,18,24)(H,19,25)
InChIKeyAJOAFRGWDMBNRF-UHFFFAOYSA-N
XLogP-0.08
TPSA140.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.76
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-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-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 16763697
3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5304017
3-[(4-nitropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5306459
3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5311623
3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084819
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084891
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084962
3-[(3-nitropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17085030
1-[(3-Pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284575
1-(2-aminoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70751086
5-methyl-N-{[3-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrazine-2-carboxamide
CID 119104939
1-methyl-N-((3-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 121195070

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 16765845) is 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1cnccn1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is AJOAFRGWDMBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN8O3/c15-9-5-20-23(7-9)8-11-21-14(26-22-11)13(25)19-4-3-18-12(24)10-6-16-1-2-17-10/h1-2,5-7H,3-4,8H2,(H,18,24)(H,19,25).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 376.76 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).