3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

C22H17F2NO3 — CID 24967350

IUPAC3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(F)cc2)CN1Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H17F2NO3/c23-17-5-3-16(4-6-17)21-14-25(22(26)28-21)13-15-1-9-19(10-2-15)27-20-11-7-18(24)8-12-20/h1-12,21H,13-14H2
InChIKeyQSVJDELGUNFMAQ-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.45
Rot. Bonds5

About 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 24967350) has the molecular formula C22H17F2NO3 and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID24967350
Molecular FormulaC22H17F2NO3
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(F)cc2)CN1Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H17F2NO3/c23-17-5-3-16(4-6-17)21-14-25(22(26)28-21)13-15-1-9-19(10-2-15)27-20-11-7-18(24)8-12-20/h1-12,21H,13-14H2
InChIKeyQSVJDELGUNFMAQ-UHFFFAOYSA-N
XLogP5.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 24967350) is 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC(c2ccc(F)cc2)CN1Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is QSVJDELGUNFMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO3/c23-17-5-3-16(4-6-17)21-14-25(22(26)28-21)13-15-1-9-19(10-2-15)27-20-11-7-18(24)8-12-20/h1-12,21H,13-14H2.
What are the key properties of 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 381.38 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24967350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).