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

C15H10BrN5OS — CID 8809937

IUPAC3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESBrc1ccccc1-c1nnn(Cc2cc(-c3cccs3)on2)n1
InChIInChI=1S/C15H10BrN5OS/c16-12-5-2-1-4-11(12)15-17-20-21(18-15)9-10-8-13(22-19-10)14-6-3-7-23-14/h1-8H,9H2
InChIKeyONDLJNZWKSYMPD-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.87
Rot. Bonds4

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

3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (PubChem CID 8809937) has the molecular formula C15H10BrN5OS and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
PubChem CID8809937
Molecular FormulaC15H10BrN5OS
Molecular Weight388.25 g/mol
Exact Mass386.98
IUPAC Name3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESBrc1ccccc1-c1nnn(Cc2cc(-c3cccs3)on2)n1
InChIInChI=1S/C15H10BrN5OS/c16-12-5-2-1-4-11(12)15-17-20-21(18-15)9-10-8-13(22-19-10)14-6-3-7-23-14/h1-8H,9H2
InChIKeyONDLJNZWKSYMPD-UHFFFAOYSA-N
XLogP3.87
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598063
2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole
CID 71855841
3-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8685721
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 8685179
3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole
CID 36651321
1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one
CID 17423081
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 55494664
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8643026
1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420028

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (CID 8809937) is 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is Brc1ccccc1-c1nnn(Cc2cc(-c3cccs3)on2)n1.
What is the InChIKey of 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is ONDLJNZWKSYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5OS/c16-12-5-2-1-4-11(12)15-17-20-21(18-15)9-10-8-13(22-19-10)14-6-3-7-23-14/h1-8H,9H2.
What are the key properties of 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 388.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 8809937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).