4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol

C16H13F2N3O2 — CID 135665943

IUPAC4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol
SMILESCCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1
InChIInChI=1S/C16H13F2N3O2/c1-2-19-16-21-20-15(23-16)12-7-9(3-6-14(12)22)11-5-4-10(17)8-13(11)18/h3-8,22H,2H2,1H3,(H,19,21)
InChIKeyVJBYTMCHBADOIR-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.82
Rot. Bonds4

About 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol

4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135665943) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135665943
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol
SMILESCCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1
InChIInChI=1S/C16H13F2N3O2/c1-2-19-16-21-20-15(23-16)12-7-9(3-6-14(12)22)11-5-4-10(17)8-13(11)18/h3-8,22H,2H2,1H3,(H,19,21)
InChIKeyVJBYTMCHBADOIR-UHFFFAOYSA-N
XLogP3.82
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol (CID 135665943) is 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol is CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is VJBYTMCHBADOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-2-19-16-21-20-15(23-16)12-7-9(3-6-14(12)22)11-5-4-10(17)8-13(11)18/h3-8,22H,2H2,1H3,(H,19,21).
What are the key properties of 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol?
4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 317.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135665943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).