N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C11H12N4O2S — CID 863202

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C11H12N4O2S/c1-7-3-4-12-11(13-7)18-6-10(16)14-9-5-8(2)17-15-9/h3-5H,6H2,1-2H3,(H,14,15,16)
InChIKeyDEXRPKPKVAELGM-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.81
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 863202) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID863202
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C11H12N4O2S/c1-7-3-4-12-11(13-7)18-6-10(16)14-9-5-8(2)17-15-9/h3-5H,6H2,1-2H3,(H,14,15,16)
InChIKeyDEXRPKPKVAELGM-UHFFFAOYSA-N
XLogP1.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 863202) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)Nc2cc(C)on2)n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is DEXRPKPKVAELGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-3-4-12-11(13-7)18-6-10(16)14-9-5-8(2)17-15-9/h3-5H,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 264.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 863202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).