2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H11BrN6O2S — CID 4011653

IUPAC2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccc(Br)cc2)no1
InChIInChI=1S/C13H11BrN6O2S/c1-8-6-11(17-22-8)15-12(21)7-23-13-16-18-19-20(13)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,17,21)
InChIKeyGPEHWFNIXWVPTA-UHFFFAOYSA-N
MW395.24 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4011653) has the molecular formula C13H11BrN6O2S and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4011653
Molecular FormulaC13H11BrN6O2S
Molecular Weight395.24 g/mol
Exact Mass393.98
IUPAC Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccc(Br)cc2)no1
InChIInChI=1S/C13H11BrN6O2S/c1-8-6-11(17-22-8)15-12(21)7-23-13-16-18-19-20(13)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,17,21)
InChIKeyGPEHWFNIXWVPTA-UHFFFAOYSA-N
XLogP2.45
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 6491291
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46677060
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 3440252
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 3570863
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 17410604
N-(4-bromo-2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571050
N-(4-bromo-2-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2610371
N-(3,4-dibromophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3938077
N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 3249730
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4011653) is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nnnn2-c2ccc(Br)cc2)no1.
What is the InChIKey of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GPEHWFNIXWVPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6O2S/c1-8-6-11(17-22-8)15-12(21)7-23-13-16-18-19-20(13)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,17,21).
What are the key properties of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 395.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4011653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).