N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C13H12N6O2S — CID 702084

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C13H12N6O2S/c1-9-7-11(16-21-9)14-12(20)8-22-13-15-17-18-19(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,16,20)
InChIKeyIMXOIITYNLWIHL-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.69
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 702084) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID702084
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C13H12N6O2S/c1-9-7-11(16-21-9)14-12(20)8-22-13-15-17-18-19(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,16,20)
InChIKeyIMXOIITYNLWIHL-UHFFFAOYSA-N
XLogP1.69
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 858892
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2543627
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2572862
2-((1-(4-isopropylphenyl)-1H-tetrazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 6491290
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1263733
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2528581
N-(5-Methyl-isoxazol-3-yl)-2-(1-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 655013
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2089362
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2127143
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2585593
2-((6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7162142
N-{2-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]vinyl}-N-(5-methyl-3-isoxazolyl)amine
CID 7285284

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 702084) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is IMXOIITYNLWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c1-9-7-11(16-21-9)14-12(20)8-22-13-15-17-18-19(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,16,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 316.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 702084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).