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

C15H16N6O3S — CID 2608676

IUPAC2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H16N6O3S/c1-9-4-5-12(23-3)11(6-9)21-15(17-19-20-21)25-8-14(22)16-13-7-10(2)24-18-13/h4-7H,8H2,1-3H3,(H,16,18,22)
InChIKeyJJPIRCJMKRWFJD-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.01
Rot. Bonds6

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

2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2608676) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2608676
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H16N6O3S/c1-9-4-5-12(23-3)11(6-9)21-15(17-19-20-21)25-8-14(22)16-13-7-10(2)24-18-13/h4-7H,8H2,1-3H3,(H,16,18,22)
InChIKeyJJPIRCJMKRWFJD-UHFFFAOYSA-N
XLogP2.01
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2608676) is 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JJPIRCJMKRWFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-9-4-5-12(23-3)11(6-9)21-15(17-19-20-21)25-8-14(22)16-13-7-10(2)24-18-13/h4-7H,8H2,1-3H3,(H,16,18,22).
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2608676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).