2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide

C18H15FN2O4S — CID 17396831

IUPAC2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
SMILESO=C(Cc1cc(F)cc2c1OCOC2)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C18H15FN2O4S/c19-13-4-11(17-12(5-13)8-23-10-25-17)6-16(22)20-7-14-9-24-18(21-14)15-2-1-3-26-15/h1-5,9H,6-8,10H2,(H,20,22)
InChIKeyDLYYPWZNEXNWSR-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.27
Rot. Bonds5

About 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide

2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 17396831) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID17396831
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
SMILESO=C(Cc1cc(F)cc2c1OCOC2)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C18H15FN2O4S/c19-13-4-11(17-12(5-13)8-23-10-25-17)6-16(22)20-7-14-9-24-18(21-14)15-2-1-3-26-15/h1-5,9H,6-8,10H2,(H,20,22)
InChIKeyDLYYPWZNEXNWSR-UHFFFAOYSA-N
XLogP3.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
CID 42209438
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]furan-2-carboxamide
CID 29320925
2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 71888202
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111486232
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
CID 78832475
4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 24608415
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883130

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide (CID 17396831) is 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide is O=C(Cc1cc(F)cc2c1OCOC2)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is DLYYPWZNEXNWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-13-4-11(17-12(5-13)8-23-10-25-17)6-16(22)20-7-14-9-24-18(21-14)15-2-1-3-26-15/h1-5,9H,6-8,10H2,(H,20,22).
What are the key properties of 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 374.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 17396831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).