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

C15H15N5O2S — CID 855629

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)no1
InChIInChI=1S/C15H15N5O2S/c1-10-8-12(19-22-10)16-13(21)9-23-15-18-17-14(20(15)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,19,21)
InChIKeyXYGKEMACTKCPIW-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.51
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 855629) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID855629
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)no1
InChIInChI=1S/C15H15N5O2S/c1-10-8-12(19-22-10)16-13(21)9-23-15-18-17-14(20(15)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,19,21)
InChIKeyXYGKEMACTKCPIW-UHFFFAOYSA-N
XLogP2.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 855629) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XYGKEMACTKCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-8-12(19-22-10)16-13(21)9-23-15-18-17-14(20(15)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 329.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 855629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).