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

C17H18N4O3S — CID 3296306

IUPAC2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H18N4O3S/c1-3-23-14-6-4-13(5-7-14)21-9-8-18-17(21)25-11-16(22)19-15-10-12(2)24-20-15/h4-10H,3,11H2,1-2H3,(H,19,20,22)
InChIKeyRYJLEQSYLZRIOB-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.30
Rot. Bonds7

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

2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3296306) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3296306
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H18N4O3S/c1-3-23-14-6-4-13(5-7-14)21-9-8-18-17(21)25-11-16(22)19-15-10-12(2)24-20-15/h4-10H,3,11H2,1-2H3,(H,19,20,22)
InChIKeyRYJLEQSYLZRIOB-UHFFFAOYSA-N
XLogP3.30
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3296306) is 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RYJLEQSYLZRIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-23-14-6-4-13(5-7-14)21-9-8-18-17(21)25-11-16(22)19-15-10-12(2)24-20-15/h4-10H,3,11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3296306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).