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

C14H14N6O2S — CID 1243637

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccccc2C)no1
InChIInChI=1S/C14H14N6O2S/c1-9-5-3-4-6-11(9)20-14(16-18-19-20)23-8-13(21)15-12-7-10(2)22-17-12/h3-7H,8H2,1-2H3,(H,15,17,21)
InChIKeyRQSMEECOTAKRSL-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.00
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1243637) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1243637
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccccc2C)no1
InChIInChI=1S/C14H14N6O2S/c1-9-5-3-4-6-11(9)20-14(16-18-19-20)23-8-13(21)15-12-7-10(2)22-17-12/h3-7H,8H2,1-2H3,(H,15,17,21)
InChIKeyRQSMEECOTAKRSL-UHFFFAOYSA-N
XLogP2.00
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.00
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-(6-Amino-4-oxo-1-m-tolyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651484
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-(5-methyl-3-isoxazolyl)butanamide
CID 2941476
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
N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 702084
2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 855630
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

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1243637) is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RQSMEECOTAKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-5-3-4-6-11(9)20-14(16-18-19-20)23-8-13(21)15-12-7-10(2)22-17-12/h3-7H,8H2,1-2H3,(H,15,17,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 330.37 g/mol, XLogP of 2.00, 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-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1243637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).