5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

C15H15BrN4O3 — CID 2056589

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)no1
InChIInChI=1S/C15H15BrN4O3/c1-8-6-13(19-23-8)17-15(21)12-5-4-11(22-12)7-20-10(3)14(16)9(2)18-20/h4-6H,7H2,1-3H3,(H,17,19,21)
InChIKeyWHMFEROJIFNBQW-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.45
Rot. Bonds4

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide (PubChem CID 2056589) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
PubChem CID2056589
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)no1
InChIInChI=1S/C15H15BrN4O3/c1-8-6-13(19-23-8)17-15(21)12-5-4-11(22-12)7-20-10(3)14(16)9(2)18-20/h4-6H,7H2,1-3H3,(H,17,19,21)
InChIKeyWHMFEROJIFNBQW-UHFFFAOYSA-N
XLogP3.45
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide (CID 2056589) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)no1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The InChIKey is WHMFEROJIFNBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c1-8-6-13(19-23-8)17-15(21)12-5-4-11(22-12)7-20-10(3)14(16)9(2)18-20/h4-6H,7H2,1-3H3,(H,17,19,21).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide has a molecular weight of 379.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 2056589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).