N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C19H13F3N2O4 — CID 41293283

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H13F3N2O4/c20-12-3-1-11(2-4-12)16-10-23-18(26-16)8-7-17(25)24-13-5-6-14-15(9-13)28-19(21,22)27-14/h1-6,9-10H,7-8H2,(H,24,25)
InChIKeyXKGOIJNRGNSFNU-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.37
Rot. Bonds5

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 41293283) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID41293283
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H13F3N2O4/c20-12-3-1-11(2-4-12)16-10-23-18(26-16)8-7-17(25)24-13-5-6-14-15(9-13)28-19(21,22)27-14/h1-6,9-10H,7-8H2,(H,24,25)
InChIKeyXKGOIJNRGNSFNU-UHFFFAOYSA-N
XLogP4.37
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
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N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
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3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
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N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 41293283) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is XKGOIJNRGNSFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c20-12-3-1-11(2-4-12)16-10-23-18(26-16)8-7-17(25)24-13-5-6-14-15(9-13)28-19(21,22)27-14/h1-6,9-10H,7-8H2,(H,24,25).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 390.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 41293283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).