4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol

C16H13FN2O2 — CID 137011370

IUPAC4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(F)cc1-c1nc(CCc2ccccc2)no1
InChIInChI=1S/C16H13FN2O2/c17-12-7-8-14(20)13(10-12)16-18-15(19-21-16)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2
InChIKeyRBHKHDIJXPQDDP-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.37
Rot. Bonds4

About 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol

4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137011370) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137011370
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(F)cc1-c1nc(CCc2ccccc2)no1
InChIInChI=1S/C16H13FN2O2/c17-12-7-8-14(20)13(10-12)16-18-15(19-21-16)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2
InChIKeyRBHKHDIJXPQDDP-UHFFFAOYSA-N
XLogP3.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137011370) is 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(F)cc1-c1nc(CCc2ccccc2)no1.
What is the InChIKey of 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is RBHKHDIJXPQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-7-8-14(20)13(10-12)16-18-15(19-21-16)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2.
What are the key properties of 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 284.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137011370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).