3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole

C17H12BrN5O — CID 8598063

IUPAC3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
SMILESBrc1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C17H12BrN5O/c18-14-8-6-13(7-9-14)17-19-22-23(20-17)11-15-10-16(24-21-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyOYIQLYCORVJALR-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.81
Rot. Bonds4

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

3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 8598063) has the molecular formula C17H12BrN5O and a molecular weight of 382.22 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID8598063
Molecular FormulaC17H12BrN5O
Molecular Weight382.22 g/mol
Exact Mass381.02
IUPAC Name3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
SMILESBrc1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C17H12BrN5O/c18-14-8-6-13(7-9-14)17-19-22-23(20-17)11-15-10-16(24-21-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyOYIQLYCORVJALR-UHFFFAOYSA-N
XLogP3.81
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8643026
3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8809937
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
CID 30176128
3-bromo-5-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 103350064
3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 62394056
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 46528837
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18776288
3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8685721

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole (CID 8598063) is 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole is Brc1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1.
What is the InChIKey of 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is OYIQLYCORVJALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O/c18-14-8-6-13(7-9-14)17-19-22-23(20-17)11-15-10-16(24-21-15)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 382.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 8598063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).