1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone

C18H13F3N2O2 — CID 157392121

IUPAC1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C18H13F3N2O2/c1-11(24)12-3-2-4-13(9-12)16-10-22-17(25-16)23-15-7-5-14(6-8-15)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyOKQMEYZJDFWNAH-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.31
Rot. Bonds4

About 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone

1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone (PubChem CID 157392121) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
PubChem CID157392121
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C18H13F3N2O2/c1-11(24)12-3-2-4-13(9-12)16-10-22-17(25-16)23-15-7-5-14(6-8-15)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyOKQMEYZJDFWNAH-UHFFFAOYSA-N
XLogP5.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
trimethyl-[2-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenoxy]ethyl]azanium
CID 156518203
1-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11305537
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
1-[3-[[2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905570
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 156506688

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone (CID 157392121) is 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1.
What is the InChIKey of 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?
The InChIKey is OKQMEYZJDFWNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-11(24)12-3-2-4-13(9-12)16-10-22-17(25-16)23-15-7-5-14(6-8-15)18(19,20)21/h2-10H,1H3,(H,22,23).
What are the key properties of 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone has a molecular weight of 346.31 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 157392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).