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

C21H19F3N2O2 — CID 134010985

IUPAC3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H19F3N2O2/c1-14(16-8-5-9-17(12-16)21(22,23)24)26-19(27)10-11-20-25-13-18(28-20)15-6-3-2-4-7-15/h2-9,12-14H,10-11H2,1H3,(H,26,27)
InChIKeyQBPKKJGMXXDGNC-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.17
Rot. Bonds6

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

3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 134010985) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID134010985
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H19F3N2O2/c1-14(16-8-5-9-17(12-16)21(22,23)24)26-19(27)10-11-20-25-13-18(28-20)15-6-3-2-4-7-15/h2-9,12-14H,10-11H2,1H3,(H,26,27)
InChIKeyQBPKKJGMXXDGNC-UHFFFAOYSA-N
XLogP5.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
N-[(1R)-1-phenylethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755550
N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30171895

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 134010985) is 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is QBPKKJGMXXDGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-14(16-8-5-9-17(12-16)21(22,23)24)26-19(27)10-11-20-25-13-18(28-20)15-6-3-2-4-7-15/h2-9,12-14H,10-11H2,1H3,(H,26,27).
What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 388.39 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 134010985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).