2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H18N4O4S — CID 135509305

IUPAC2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2cc(C)on2)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H18N4O4S/c1-3-13-16(24)20-18(22(17(13)25)12-7-5-4-6-8-12)27-10-15(23)19-14-9-11(2)26-21-14/h4-9,24H,3,10H2,1-2H3,(H,19,21,23)
InChIKeyRAEAPKBLZBIDGH-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.53
Rot. Bonds6

About 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 135509305) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID135509305
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2cc(C)on2)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H18N4O4S/c1-3-13-16(24)20-18(22(17(13)25)12-7-5-4-6-8-12)27-10-15(23)19-14-9-11(2)26-21-14/h4-9,24H,3,10H2,1-2H3,(H,19,21,23)
InChIKeyRAEAPKBLZBIDGH-UHFFFAOYSA-N
XLogP2.53
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 135509305) is 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1c(O)nc(SCC(=O)Nc2cc(C)on2)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RAEAPKBLZBIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-3-13-16(24)20-18(22(17(13)25)12-7-5-4-6-8-12)27-10-15(23)19-14-9-11(2)26-21-14/h4-9,24H,3,10H2,1-2H3,(H,19,21,23).
What are the key properties of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 135509305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).