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

C15H12BrN3O3 — CID 2989201

IUPAC5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C15H12BrN3O3/c1-9-2-4-10(5-3-9)14-18-13(22-19-14)8-17-15(20)11-6-7-12(16)21-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyKQNKWFDIUZVENL-UHFFFAOYSA-N
MW362.18 g/mol
LogP3.33
Rot. Bonds4

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

5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 2989201) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID2989201
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C15H12BrN3O3/c1-9-2-4-10(5-3-9)14-18-13(22-19-14)8-17-15(20)11-6-7-12(16)21-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyKQNKWFDIUZVENL-UHFFFAOYSA-N
XLogP3.33
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 2989201) is 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is Cc1ccc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)cc1.
What is the InChIKey of 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is KQNKWFDIUZVENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-9-2-4-10(5-3-9)14-18-13(22-19-14)8-17-15(20)11-6-7-12(16)21-11/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 362.18 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 2989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).