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

C15H15N5O2S — CID 2746257

IUPAC2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)no1
InChIInChI=1S/C15H15N5O2S/c1-10-8-12(19-22-10)14-17-18-15(20(14)2)23-9-13(21)16-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,21)
InChIKeyPLICWAMBDHYQJP-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.51
Rot. Bonds5

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

2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2746257) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID2746257
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)no1
InChIInChI=1S/C15H15N5O2S/c1-10-8-12(19-22-10)14-17-18-15(20(14)2)23-9-13(21)16-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,21)
InChIKeyPLICWAMBDHYQJP-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 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 2746257) is 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)no1.
What is the InChIKey of 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is PLICWAMBDHYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-8-12(19-22-10)14-17-18-15(20(14)2)23-9-13(21)16-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,21).
What are the key properties of 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide 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 2-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2746257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).