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

C18H18FNO2 — CID 24881748

IUPAC2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
SMILESOc1ccccc1CCC1=NOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO2/c19-15-8-5-13(6-9-15)11-17-12-16(20-22-17)10-7-14-3-1-2-4-18(14)21/h1-6,8-9,17,21H,7,10-12H2
InChIKeyDUCBCAYVWXVBIY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.85
Rot. Bonds5

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

2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol (PubChem CID 24881748) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Name2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
PubChem CID24881748
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
SMILESOc1ccccc1CCC1=NOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO2/c19-15-8-5-13(6-9-15)11-17-12-16(20-22-17)10-7-14-3-1-2-4-18(14)21/h1-6,8-9,17,21H,7,10-12H2
InChIKeyDUCBCAYVWXVBIY-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 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The IUPAC name of 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol (CID 24881748) is 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol.
What is the SMILES notation for 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The canonical SMILES for 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol is Oc1ccccc1CCC1=NOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The InChIKey is DUCBCAYVWXVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-8-5-13(6-9-15)11-17-12-16(20-22-17)10-7-14-3-1-2-4-18(14)21/h1-6,8-9,17,21H,7,10-12H2.
What are the key properties of 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
2-[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 2-[2-[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol is sourced from PubChem (CID 24881748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).