4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one

C9H5F2NO3 — CID 57185792

IUPAC4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)c(F)c2)c(O)o1
InChIInChI=1S/C9H5F2NO3/c10-5-2-1-4(3-6(5)11)7-8(13)15-9(14)12-7/h1-3,13H,(H,12,14)
InChIKeyORIHGOXVRLGMHW-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.62
Rot. Bonds1

About 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one

4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 57185792) has the molecular formula C9H5F2NO3 and a molecular weight of 213.14 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one
PubChem CID57185792
Molecular FormulaC9H5F2NO3
Molecular Weight213.14 g/mol
Exact Mass213.02
IUPAC Name4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)c(F)c2)c(O)o1
InChIInChI=1S/C9H5F2NO3/c10-5-2-1-4(3-6(5)11)7-8(13)15-9(14)12-7/h1-3,13H,(H,12,14)
InChIKeyORIHGOXVRLGMHW-UHFFFAOYSA-N
XLogP1.62
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one (CID 57185792) is 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one is O=c1[nH]c(-c2ccc(F)c(F)c2)c(O)o1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is ORIHGOXVRLGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO3/c10-5-2-1-4(3-6(5)11)7-8(13)15-9(14)12-7/h1-3,13H,(H,12,14).
What are the key properties of 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one?
4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 213.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 57185792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).