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

C19H13F5N2O3 — CID 18280238

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H13F5N2O3/c20-11-4-3-5-12(21)18(11)15-10-25-17(28-15)9-8-16(27)26-13-6-1-2-7-14(13)29-19(22,23)24/h1-7,10H,8-9H2,(H,26,27)
InChIKeyXTYZDZBVKOSBSD-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.09
Rot. Bonds6

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

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 18280238) has the molecular formula C19H13F5N2O3 and a molecular weight of 412.31 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID18280238
Molecular FormulaC19H13F5N2O3
Molecular Weight412.31 g/mol
Exact Mass412.08
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H13F5N2O3/c20-11-4-3-5-12(21)18(11)15-10-25-17(28-15)9-8-16(27)26-13-6-1-2-7-14(13)29-19(22,23)24/h1-7,10H,8-9H2,(H,26,27)
InChIKeyXTYZDZBVKOSBSD-UHFFFAOYSA-N
XLogP5.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.09
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-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24612914
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 43068627
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 24608720
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32597256
N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 25399121
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 38736078

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 18280238) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is XTYZDZBVKOSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O3/c20-11-4-3-5-12(21)18(11)15-10-25-17(28-15)9-8-16(27)26-13-6-1-2-7-14(13)29-19(22,23)24/h1-7,10H,8-9H2,(H,26,27).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 412.31 g/mol, XLogP of 5.09, 6 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-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 18280238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).