3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol

C18H14FNO2 — CID 56982800

IUPAC3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(C2=CC(c3ccc(F)cc3)ON2)c1
InChIInChI=1S/C18H14FNO2/c19-16-8-6-14(7-9-16)18-12-17(20-22-18)15-5-1-3-13(11-15)4-2-10-21/h1,3,5-9,11-12,18,20-21H,10H2
InChIKeyPRJHWUZZJGREPB-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.79
Rot. Bonds2

About 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol

3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol (PubChem CID 56982800) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol
PubChem CID56982800
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(C2=CC(c3ccc(F)cc3)ON2)c1
InChIInChI=1S/C18H14FNO2/c19-16-8-6-14(7-9-16)18-12-17(20-22-18)15-5-1-3-13(11-15)4-2-10-21/h1,3,5-9,11-12,18,20-21H,10H2
InChIKeyPRJHWUZZJGREPB-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol (CID 56982800) is 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol is OCC#Cc1cccc(C2=CC(c3ccc(F)cc3)ON2)c1.
What is the InChIKey of 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol?
The InChIKey is PRJHWUZZJGREPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-16-8-6-14(7-9-16)18-12-17(20-22-18)15-5-1-3-13(11-15)4-2-10-21/h1,3,5-9,11-12,18,20-21H,10H2.
What are the key properties of 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol?
3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol has a molecular weight of 295.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 56982800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).