5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole

C13H11BrN4O2 — CID 23020046

IUPAC5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnnc2-c2ccc(Br)o2)cc1
InChIInChI=1S/C13H11BrN4O2/c1-19-10-4-2-9(3-5-10)8-18-13(15-16-17-18)11-6-7-12(14)20-11/h2-7H,8H2,1H3
InChIKeyVODHOZVZLPBPAK-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.75
Rot. Bonds4

About 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole

5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 23020046) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID23020046
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnnc2-c2ccc(Br)o2)cc1
InChIInChI=1S/C13H11BrN4O2/c1-19-10-4-2-9(3-5-10)8-18-13(15-16-17-18)11-6-7-12(14)20-11/h2-7H,8H2,1H3
InChIKeyVODHOZVZLPBPAK-UHFFFAOYSA-N
XLogP2.75
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 154721135
3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257220
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 18098906
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-1H-indole
CID 155934782
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38841871
3-[[5-(5-bromofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81071402
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 55431609
1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
CID 42691330
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole (CID 23020046) is 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole is COc1ccc(Cn2nnnc2-c2ccc(Br)o2)cc1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is VODHOZVZLPBPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-19-10-4-2-9(3-5-10)8-18-13(15-16-17-18)11-6-7-12(14)20-11/h2-7H,8H2,1H3.
What are the key properties of 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole?
5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 335.16 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 23020046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).