3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C13H11BrN6O2 — CID 16765775

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C13H11BrN6O2/c14-10-6-17-20(7-10)8-11-18-13(22-19-11)12(21)16-5-9-1-3-15-4-2-9/h1-4,6-7H,5,8H2,(H,16,21)
InChIKeyNYYOZHYHOYDJHZ-UHFFFAOYSA-N
MW363.18 g/mol
LogP1.40
Rot. Bonds5

About 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765775) has the molecular formula C13H11BrN6O2 and a molecular weight of 363.18 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765775
Molecular FormulaC13H11BrN6O2
Molecular Weight363.18 g/mol
Exact Mass362.01
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C13H11BrN6O2/c14-10-6-17-20(7-10)8-11-18-13(22-19-11)12(21)16-5-9-1-3-15-4-2-9/h1-4,6-7H,5,8H2,(H,16,21)
InChIKeyNYYOZHYHOYDJHZ-UHFFFAOYSA-N
XLogP1.40
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-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

methyl 4-[[[3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate
CID 17082787
3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide
CID 17082779
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297003
3-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5311625
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084996
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765838
3-[(4-bromopyrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 55137788
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
CID 61496925

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 16765775) is 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccncc1)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NYYOZHYHOYDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6O2/c14-10-6-17-20(7-10)8-11-18-13(22-19-11)12(21)16-5-9-1-3-15-4-2-9/h1-4,6-7H,5,8H2,(H,16,21).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 363.18 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).