2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol

C20H13F2N3O2 — CID 135665945

IUPAC2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C20H13F2N3O2/c21-13-7-8-15(17(22)11-13)12-6-9-18(26)16(10-12)19-24-25-20(27-19)23-14-4-2-1-3-5-14/h1-11,26H,(H,23,25)
InChIKeyYORXCGCBPXUCJJ-UHFFFAOYSA-N
MW365.34 g/mol
LogP5.13
Rot. Bonds4

About 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol

2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol (PubChem CID 135665945) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol.

Molecular Properties

Compound Name2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol
PubChem CID135665945
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C20H13F2N3O2/c21-13-7-8-15(17(22)11-13)12-6-9-18(26)16(10-12)19-24-25-20(27-19)23-14-4-2-1-3-5-14/h1-11,26H,(H,23,25)
InChIKeyYORXCGCBPXUCJJ-UHFFFAOYSA-N
XLogP5.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol?
The IUPAC name of 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol (CID 135665945) is 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol.
What is the SMILES notation for 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol?
The canonical SMILES for 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol is Oc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(Nc2ccccc2)o1.
What is the InChIKey of 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol?
The InChIKey is YORXCGCBPXUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-13-7-8-15(17(22)11-13)12-6-9-18(26)16(10-12)19-24-25-20(27-19)23-14-4-2-1-3-5-14/h1-11,26H,(H,23,25).
What are the key properties of 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol?
2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol has a molecular weight of 365.34 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-1,3,4-oxadiazol-2-yl)-4-(2,4-difluorophenyl)phenol is sourced from PubChem (CID 135665945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).