5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

C14H12BrN5O3 — CID 27443738

IUPAC5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H12BrN5O3/c1-22-10-4-2-9(3-5-10)20-13(17-18-19-20)8-16-14(21)11-6-7-12(15)23-11/h2-7H,8H2,1H3,(H,16,21)
InChIKeyYAZHSVUPPLJLSI-UHFFFAOYSA-N
MW378.19 g/mol
LogP1.96
Rot. Bonds5

About 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 27443738) has the molecular formula C14H12BrN5O3 and a molecular weight of 378.19 g/mol. Its IUPAC name is 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID27443738
Molecular FormulaC14H12BrN5O3
Molecular Weight378.19 g/mol
Exact Mass377.01
IUPAC Name5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H12BrN5O3/c1-22-10-4-2-9(3-5-10)20-13(17-18-19-20)8-16-14(21)11-6-7-12(15)23-11/h2-7H,8H2,1H3,(H,16,21)
InChIKeyYAZHSVUPPLJLSI-UHFFFAOYSA-N
XLogP1.96
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 27443738) is 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is COc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is YAZHSVUPPLJLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O3/c1-22-10-4-2-9(3-5-10)20-13(17-18-19-20)8-16-14(21)11-6-7-12(15)23-11/h2-7H,8H2,1H3,(H,16,21).
What are the key properties of 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 378.19 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 27443738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).