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

C19H22N4O4S — CID 654066

IUPAC2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C19H22N4O4S/c1-13-10-17(22-27-13)21-18(24)12-28-19-20-11-16(23(19)8-9-25-2)14-4-6-15(26-3)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22,24)
InChIKeyLENCBPUYDZMHHU-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.23
Rot. Bonds9

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

2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 654066) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID654066
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C19H22N4O4S/c1-13-10-17(22-27-13)21-18(24)12-28-19-20-11-16(23(19)8-9-25-2)14-4-6-15(26-3)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22,24)
InChIKeyLENCBPUYDZMHHU-UHFFFAOYSA-N
XLogP3.23
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 654066) is 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LENCBPUYDZMHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-10-17(22-27-13)21-18(24)12-28-19-20-11-16(23(19)8-9-25-2)14-4-6-15(26-3)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22,24).
What are the key properties of 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 654066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).