4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol

C18H18FNO2 — CID 24881679

IUPAC4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
SMILESOc1ccc(CCC2=NOC(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FNO2/c19-15-6-1-14(2-7-15)11-18-12-16(20-22-18)8-3-13-4-9-17(21)10-5-13/h1-2,4-7,9-10,18,21H,3,8,11-12H2
InChIKeyQZDWGTAEQIPSMR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.85
Rot. Bonds5

About 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol

4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol (PubChem CID 24881679) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
PubChem CID24881679
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
SMILESOc1ccc(CCC2=NOC(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FNO2/c19-15-6-1-14(2-7-15)11-18-12-16(20-22-18)8-3-13-4-9-17(21)10-5-13/h1-2,4-7,9-10,18,21H,3,8,11-12H2
InChIKeyQZDWGTAEQIPSMR-UHFFFAOYSA-N
XLogP3.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol (CID 24881679) is 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol is Oc1ccc(CCC2=NOC(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The InChIKey is QZDWGTAEQIPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-6-1-14(2-7-15)11-18-12-16(20-22-18)8-3-13-4-9-17(21)10-5-13/h1-2,4-7,9-10,18,21H,3,8,11-12H2.
What are the key properties of 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol has a molecular weight of 299.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol is sourced from PubChem (CID 24881679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).