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

C14H14N6O3S — CID 1263733

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H14N6O3S/c1-9-7-12(17-23-9)15-13(21)8-24-14-16-18-19-20(14)10-5-3-4-6-11(10)22-2/h3-7H,8H2,1-2H3,(H,15,17,21)
InChIKeyAHSBTNFXEGYPFK-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.70
Rot. Bonds6

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

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1263733) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1263733
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H14N6O3S/c1-9-7-12(17-23-9)15-13(21)8-24-14-16-18-19-20(14)10-5-3-4-6-11(10)22-2/h3-7H,8H2,1-2H3,(H,15,17,21)
InChIKeyAHSBTNFXEGYPFK-UHFFFAOYSA-N
XLogP1.70
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1263733) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is AHSBTNFXEGYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S/c1-9-7-12(17-23-9)15-13(21)8-24-14-16-18-19-20(14)10-5-3-4-6-11(10)22-2/h3-7H,8H2,1-2H3,(H,15,17,21).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1263733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).