3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C20H16F4N2O2 — CID 134036431

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F4N2O2/c21-16-7-2-1-6-15(16)17-12-26-19(28-17)9-8-18(27)25-11-13-4-3-5-14(10-13)20(22,23)24/h1-7,10,12H,8-9,11H2,(H,25,27)
InChIKeyLPYDOAYQKUZPSU-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.75
Rot. Bonds6

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 134036431) has the molecular formula C20H16F4N2O2 and a molecular weight of 392.35 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID134036431
Molecular FormulaC20H16F4N2O2
Molecular Weight392.35 g/mol
Exact Mass392.11
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F4N2O2/c21-16-7-2-1-6-15(16)17-12-26-19(28-17)9-8-18(27)25-11-13-4-3-5-14(10-13)20(22,23)24/h1-7,10,12H,8-9,11H2,(H,25,27)
InChIKeyLPYDOAYQKUZPSU-UHFFFAOYSA-N
XLogP4.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 134036129
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38530556
N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 16593036
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
CID 34643923
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 38740723
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24612914

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 134036431) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is LPYDOAYQKUZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2/c21-16-7-2-1-6-15(16)17-12-26-19(28-17)9-8-18(27)25-11-13-4-3-5-14(10-13)20(22,23)24/h1-7,10,12H,8-9,11H2,(H,25,27).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 392.35 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 134036431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).