2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C20H16FN3O4S — CID 20906249

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)COCc3cc(-c4ccc(F)cc4)on3)sc2c1
InChIInChI=1S/C20H16FN3O4S/c1-26-15-6-7-16-18(9-15)29-20(22-16)23-19(25)11-27-10-14-8-17(28-24-14)12-2-4-13(21)5-3-12/h2-9H,10-11H2,1H3,(H,22,23,25)
InChIKeySAXAMPLUNCXVRK-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.25
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 20906249) has the molecular formula C20H16FN3O4S and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID20906249
Molecular FormulaC20H16FN3O4S
Molecular Weight413.43 g/mol
Exact Mass413.08
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)COCc3cc(-c4ccc(F)cc4)on3)sc2c1
InChIInChI=1S/C20H16FN3O4S/c1-26-15-6-7-16-18(9-15)29-20(22-16)23-19(25)11-27-10-14-8-17(28-24-14)12-2-4-13(21)5-3-12/h2-9H,10-11H2,1H3,(H,22,23,25)
InChIKeySAXAMPLUNCXVRK-UHFFFAOYSA-N
XLogP4.25
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 20906254
methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
CID 17254056
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 31287787
5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011314
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 24597030
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 20906249) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)COCc3cc(-c4ccc(F)cc4)on3)sc2c1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SAXAMPLUNCXVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4S/c1-26-15-6-7-16-18(9-15)29-20(22-16)23-19(25)11-27-10-14-8-17(28-24-14)12-2-4-13(21)5-3-12/h2-9H,10-11H2,1H3,(H,22,23,25).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 413.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 20906249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).