5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

C13H13BrN6O — CID 46528837

IUPAC5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(Cn2nnc(-c3ccc(Br)cc3)n2)n1
InChIInChI=1S/C13H13BrN6O/c1-8(2)12-15-11(21-18-12)7-20-17-13(16-19-20)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyUKQZZKUFKRDZCV-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.66
Rot. Bonds4

About 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 46528837) has the molecular formula C13H13BrN6O and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID46528837
Molecular FormulaC13H13BrN6O
Molecular Weight349.19 g/mol
Exact Mass348.03
IUPAC Name5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(Cn2nnc(-c3ccc(Br)cc3)n2)n1
InChIInChI=1S/C13H13BrN6O/c1-8(2)12-15-11(21-18-12)7-20-17-13(16-19-20)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyUKQZZKUFKRDZCV-UHFFFAOYSA-N
XLogP2.66
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18776288
2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole
CID 8642994
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598063
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 38877301
5-(4-bromophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
CID 7490503
3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 146125914
7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 78961293
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
3-(4-bromophenyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 82489304
5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 46528837) is 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(Cn2nnc(-c3ccc(Br)cc3)n2)n1.
What is the InChIKey of 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is UKQZZKUFKRDZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6O/c1-8(2)12-15-11(21-18-12)7-20-17-13(16-19-20)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 349.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46528837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).