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

C21H20N4O4S — CID 646858

IUPAC2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1
InChIInChI=1S/C21H20N4O4S/c1-14-10-19(24-29-14)23-20(26)13-30-21-22-11-18(15-5-7-16(27-2)8-6-15)25(21)12-17-4-3-9-28-17/h3-11H,12-13H2,1-2H3,(H,23,24,26)
InChIKeyIXYUDEXVWQUUFB-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.23
Rot. Bonds8

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

2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 646858) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID646858
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1
InChIInChI=1S/C21H20N4O4S/c1-14-10-19(24-29-14)23-20(26)13-30-21-22-11-18(15-5-7-16(27-2)8-6-15)25(21)12-17-4-3-9-28-17/h3-11H,12-13H2,1-2H3,(H,23,24,26)
InChIKeyIXYUDEXVWQUUFB-UHFFFAOYSA-N
XLogP4.23
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.23
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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Related Compounds

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
2-{4-Furan-2-ylmethyl-5-[(3-trifluoromethyl-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651094
2-[1-(2-Methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 654066
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 894506
2-(4-Furan-2-ylmethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1071707
2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1139039
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
(5Z)-3-(furan-2-ylmethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 162655940
2-(4-Benzyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 2586077
2-[5-(4-Fluoro-phenyl)-1-methyl-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 650436
2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 646858) is 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IXYUDEXVWQUUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-14-10-19(24-29-14)23-20(26)13-30-21-22-11-18(15-5-7-16(27-2)8-6-15)25(21)12-17-4-3-9-28-17/h3-11H,12-13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 424.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 646858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).