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

C17H12F2N2O2 — CID 161361373

IUPAC1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1
InChIInChI=1S/C17H12F2N2O2/c1-10(22)11-2-4-12(5-3-11)16-9-20-17(23-16)21-15-8-13(18)6-7-14(15)19/h2-9H,1H3,(H,20,21)
InChIKeyYBYKDTYWGNFPGE-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.57
Rot. Bonds4

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

1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone (PubChem CID 161361373) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
PubChem CID161361373
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1
InChIInChI=1S/C17H12F2N2O2/c1-10(22)11-2-4-12(5-3-11)16-9-20-17(23-16)21-15-8-13(18)6-7-14(15)19/h2-9H,1H3,(H,20,21)
InChIKeyYBYKDTYWGNFPGE-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone (CID 161361373) is 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1.
What is the InChIKey of 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The InChIKey is YBYKDTYWGNFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-10(22)11-2-4-12(5-3-11)16-9-20-17(23-16)21-15-8-13(18)6-7-14(15)19/h2-9H,1H3,(H,20,21).
What are the key properties of 1-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
1-[4-[2-(2,5-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-[4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 161361373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).