4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid

C16H10F2N2O3 — CID 139441235

IUPAC4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1
InChIInChI=1S/C16H10F2N2O3/c17-11-5-6-12(18)13(7-11)20-16-19-8-14(23-16)9-1-3-10(4-2-9)15(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKeyFANJUYQFDHALDF-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.06
Rot. Bonds4

About 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid

4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid (PubChem CID 139441235) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid
PubChem CID139441235
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1
InChIInChI=1S/C16H10F2N2O3/c17-11-5-6-12(18)13(7-11)20-16-19-8-14(23-16)9-1-3-10(4-2-9)15(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKeyFANJUYQFDHALDF-UHFFFAOYSA-N
XLogP4.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
The IUPAC name of 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid (CID 139441235) is 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid is O=C(O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1.
What is the InChIKey of 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
The InChIKey is FANJUYQFDHALDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c17-11-5-6-12(18)13(7-11)20-16-19-8-14(23-16)9-1-3-10(4-2-9)15(21)22/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid has a molecular weight of 316.26 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 139441235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).