3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one

C16H11ClFNO3 — CID 91286194

IUPAC3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1occ(O)n1Cc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H11ClFNO3/c17-14-7-11(10-3-5-13(18)6-4-10)1-2-12(14)8-19-15(20)9-22-16(19)21/h1-7,9,20H,8H2
InChIKeyFZKBBTINWWLVTM-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.65
Rot. Bonds3

About 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one

3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one (PubChem CID 91286194) has the molecular formula C16H11ClFNO3 and a molecular weight of 319.72 g/mol. Its IUPAC name is 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one
PubChem CID91286194
Molecular FormulaC16H11ClFNO3
Molecular Weight319.72 g/mol
Exact Mass319.04
IUPAC Name3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1occ(O)n1Cc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H11ClFNO3/c17-14-7-11(10-3-5-13(18)6-4-10)1-2-12(14)8-19-15(20)9-22-16(19)21/h1-7,9,20H,8H2
InChIKeyFZKBBTINWWLVTM-UHFFFAOYSA-N
XLogP3.65
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one?
The IUPAC name of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one (CID 91286194) is 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one.
What is the SMILES notation for 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one?
The canonical SMILES for 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one is O=c1occ(O)n1Cc1ccc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one?
The InChIKey is FZKBBTINWWLVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO3/c17-14-7-11(10-3-5-13(18)6-4-10)1-2-12(14)8-19-15(20)9-22-16(19)21/h1-7,9,20H,8H2.
What are the key properties of 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one?
3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one has a molecular weight of 319.72 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-1,3-oxazol-2-one is sourced from PubChem (CID 91286194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).