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

C15H16N6O2S — CID 858449

IUPAC2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C15H16N6O2S/c1-9-4-5-12(10(2)6-9)21-15(17-19-20-21)24-8-14(22)16-13-7-11(3)23-18-13/h4-7H,8H2,1-3H3,(H,16,18,22)
InChIKeyDHXMDDBDZUQVEN-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.31
Rot. Bonds5

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

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 858449) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID858449
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C15H16N6O2S/c1-9-4-5-12(10(2)6-9)21-15(17-19-20-21)24-8-14(22)16-13-7-11(3)23-18-13/h4-7H,8H2,1-3H3,(H,16,18,22)
InChIKeyDHXMDDBDZUQVEN-UHFFFAOYSA-N
XLogP2.31
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 858449) is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DHXMDDBDZUQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-9-4-5-12(10(2)6-9)21-15(17-19-20-21)24-8-14(22)16-13-7-11(3)23-18-13/h4-7H,8H2,1-3H3,(H,16,18,22).
What are the key properties of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 858449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).