N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide

C19H17F3N2O3 — CID 59652404

IUPACN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)18(26)12-16(24-27-18)14-7-9-15(10-8-14)23-17(25)11-6-13-4-2-1-3-5-13/h1-5,7-10,26H,6,11-12H2,(H,23,25)
InChIKeyPSBAGUPBWDLBRO-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.63
Rot. Bonds5

About N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide

N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide (PubChem CID 59652404) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide
PubChem CID59652404
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)18(26)12-16(24-27-18)14-7-9-15(10-8-14)23-17(25)11-6-13-4-2-1-3-5-13/h1-5,7-10,26H,6,11-12H2,(H,23,25)
InChIKeyPSBAGUPBWDLBRO-UHFFFAOYSA-N
XLogP3.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 59652657
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea
CID 25029773
1-(4-chlorophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652635
3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413344
3-[4-[(phenylsulfonimidoyl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412933
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
2,2-dimethyl-4-oxo-4-[4-[4-(3-phenylpropanoylamino)phenyl]phenyl]butanoic acid
CID 143314249
3-[4-(N-hydroxy-C-phenylcarbonimidoyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744087
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide (CID 59652404) is N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide?
The InChIKey is PSBAGUPBWDLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)18(26)12-16(24-27-18)14-7-9-15(10-8-14)23-17(25)11-6-13-4-2-1-3-5-13/h1-5,7-10,26H,6,11-12H2,(H,23,25).
What are the key properties of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide?
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide has a molecular weight of 378.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 59652404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).