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

C13H11FN6O2S — CID 859401

IUPAC2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C13H11FN6O2S/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)
InChIKeyLWYOCSCSXPISBN-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.83
Rot. Bonds5

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

2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 859401) has the molecular formula C13H11FN6O2S and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID859401
Molecular FormulaC13H11FN6O2S
Molecular Weight334.34 g/mol
Exact Mass334.06
IUPAC Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C13H11FN6O2S/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)
InChIKeyLWYOCSCSXPISBN-UHFFFAOYSA-N
XLogP1.83
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 859401) is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LWYOCSCSXPISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O2S/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-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 859401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).