1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone

C17H12F2N2O2 — CID 158393367

IUPAC1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1
InChIInChI=1S/C17H12F2N2O2/c1-10(22)11-4-2-5-12(8-11)15-9-20-17(23-15)21-16-13(18)6-3-7-14(16)19/h2-9H,1H3,(H,20,21)
InChIKeyWXQQNHIWYDHZJI-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.57
Rot. Bonds4

About 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone

1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone (PubChem CID 158393367) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
PubChem CID158393367
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1
InChIInChI=1S/C17H12F2N2O2/c1-10(22)11-4-2-5-12(8-11)15-9-20-17(23-15)21-16-13(18)6-3-7-14(16)19/h2-9H,1H3,(H,20,21)
InChIKeyWXQQNHIWYDHZJI-UHFFFAOYSA-N
XLogP4.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane
CID 144513424
[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol
CID 139441363
N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
CID 158173955
4-[2-(5-acetyl-2-methylanilino)-1,3-oxazol-5-yl]benzamide
CID 11965524
4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one
CID 160905581
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone (CID 158393367) is 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1.
What is the InChIKey of 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The InChIKey is WXQQNHIWYDHZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-10(22)11-4-2-5-12(8-11)15-9-20-17(23-15)21-16-13(18)6-3-7-14(16)19/h2-9H,1H3,(H,20,21).
What are the key properties of 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone has a molecular weight of 314.29 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 158393367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).