N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C13H12BrN5O3 — CID 43972811

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)Nc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C13H12BrN5O3/c1-7(2)19-8(5-6-15-19)11(20)16-13-18-17-12(22-13)9-3-4-10(14)21-9/h3-7H,1-2H3,(H,16,18,20)
InChIKeyBAKCYGXWLRWTCO-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.12
Rot. Bonds4

About N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 43972811) has the molecular formula C13H12BrN5O3 and a molecular weight of 366.18 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID43972811
Molecular FormulaC13H12BrN5O3
Molecular Weight366.18 g/mol
Exact Mass365.01
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)Nc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C13H12BrN5O3/c1-7(2)19-8(5-6-15-19)11(20)16-13-18-17-12(22-13)9-3-4-10(14)21-9/h3-7H,1-2H3,(H,16,18,20)
InChIKeyBAKCYGXWLRWTCO-UHFFFAOYSA-N
XLogP3.12
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 43972825
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 43972580
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 74907246
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 43972811) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)Nc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is BAKCYGXWLRWTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O3/c1-7(2)19-8(5-6-15-19)11(20)16-13-18-17-12(22-13)9-3-4-10(14)21-9/h3-7H,1-2H3,(H,16,18,20).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 366.18 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 43972811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).