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

C16H13FN2O2 — CID 136751036

IUPAC4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C16H13FN2O2/c1-10-8-13(20)6-7-14(10)16-18-15(19-21-16)9-11-2-4-12(17)5-3-11/h2-8,20H,9H2,1H3
InChIKeyFCKXGVNTVVSYEP-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.48
Rot. Bonds3

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

4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol (PubChem CID 136751036) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
PubChem CID136751036
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C16H13FN2O2/c1-10-8-13(20)6-7-14(10)16-18-15(19-21-16)9-11-2-4-12(17)5-3-11/h2-8,20H,9H2,1H3
InChIKeyFCKXGVNTVVSYEP-UHFFFAOYSA-N
XLogP3.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol (CID 136751036) is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol is Cc1cc(O)ccc1-c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The InChIKey is FCKXGVNTVVSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-8-13(20)6-7-14(10)16-18-15(19-21-16)9-11-2-4-12(17)5-3-11/h2-8,20H,9H2,1H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol?
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol has a molecular weight of 284.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol is sourced from PubChem (CID 136751036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).