3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C20H15F5N2O3 — CID 24612914

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F5N2O3/c21-14-2-1-3-15(22)19(14)16-11-27-18(29-16)9-8-17(28)26-10-12-4-6-13(7-5-12)30-20(23,24)25/h1-7,11H,8-10H2,(H,26,28)
InChIKeyFNJFTCHTIYLMMS-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.77
Rot. Bonds7

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 24612914) has the molecular formula C20H15F5N2O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID24612914
Molecular FormulaC20H15F5N2O3
Molecular Weight426.34 g/mol
Exact Mass426.10
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F5N2O3/c21-14-2-1-3-15(22)19(14)16-11-27-18(29-16)9-8-17(28)26-10-12-4-6-13(7-5-12)30-20(23,24)25/h1-7,11H,8-10H2,(H,26,28)
InChIKeyFNJFTCHTIYLMMS-UHFFFAOYSA-N
XLogP4.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 46418733
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 18280238
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51314587
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 43068627
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
3-(5-phenyl-1,3-oxazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134021509
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 43062500
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 46689015

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 24612914) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is FNJFTCHTIYLMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N2O3/c21-14-2-1-3-15(22)19(14)16-11-27-18(29-16)9-8-17(28)26-10-12-4-6-13(7-5-12)30-20(23,24)25/h1-7,11H,8-10H2,(H,26,28).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 426.34 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 24612914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).