N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide

C17H15N7O2S — CID 7118918

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnc3c(SCC(=O)Nc4cc(C)on4)ncnc32)cc1
InChIInChI=1S/C17H15N7O2S/c1-10-3-5-12(6-4-10)24-16-15(21-23-24)17(19-9-18-16)27-8-14(25)20-13-7-11(2)26-22-13/h3-7,9H,8H2,1-2H3,(H,20,22,25)
InChIKeyLHFKVCMQHVAOSQ-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.55
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide (PubChem CID 7118918) has the molecular formula C17H15N7O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
PubChem CID7118918
Molecular FormulaC17H15N7O2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnc3c(SCC(=O)Nc4cc(C)on4)ncnc32)cc1
InChIInChI=1S/C17H15N7O2S/c1-10-3-5-12(6-4-10)24-16-15(21-23-24)17(19-9-18-16)27-8-14(25)20-13-7-11(2)26-22-13/h3-7,9H,8H2,1-2H3,(H,20,22,25)
InChIKeyLHFKVCMQHVAOSQ-UHFFFAOYSA-N
XLogP2.55
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide (CID 7118918) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide is Cc1ccc(-n2nnc3c(SCC(=O)Nc4cc(C)on4)ncnc32)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
The InChIKey is LHFKVCMQHVAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2S/c1-10-3-5-12(6-4-10)24-16-15(21-23-24)17(19-9-18-16)27-8-14(25)20-13-7-11(2)26-22-13/h3-7,9H,8H2,1-2H3,(H,20,22,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide has a molecular weight of 381.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide is sourced from PubChem (CID 7118918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).