[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol

C16H13FN2O2 — CID 63846811

IUPAC[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H13FN2O2/c17-13-8-4-5-11(9-13)10-14-18-16(21-19-14)15(20)12-6-2-1-3-7-12/h1-9,15,20H,10H2
InChIKeyYHWVXTOSZKCBPC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.88
Rot. Bonds4

About [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63846811) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63846811
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H13FN2O2/c17-13-8-4-5-11(9-13)10-14-18-16(21-19-14)15(20)12-6-2-1-3-7-12/h1-9,15,20H,10H2
InChIKeyYHWVXTOSZKCBPC-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63846811) is [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol is OC(c1ccccc1)c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is YHWVXTOSZKCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-8-4-5-11(9-13)10-14-18-16(21-19-14)15(20)12-6-2-1-3-7-12/h1-9,15,20H,10H2.
What are the key properties of [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 284.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63846811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).