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

C17H14F3NO2 — CID 22261435

IUPAC4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)F)cc2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H14F3NO2/c18-13-7-5-11(6-8-13)15-14(21-17(22)23-15)9-10-1-3-12(4-2-10)16(19)20/h1-8,14-16H,9H2,(H,21,22)
InChIKeyYXDVZDRCNFHUFX-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.16
Rot. Bonds4

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

4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 22261435) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID22261435
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)F)cc2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H14F3NO2/c18-13-7-5-11(6-8-13)15-14(21-17(22)23-15)9-10-1-3-12(4-2-10)16(19)20/h1-8,14-16H,9H2,(H,21,22)
InChIKeyYXDVZDRCNFHUFX-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-1,3-oxazolidin-2-one
CID 202193
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69083336
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
(4S,5R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11540938
Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
CID 207926
benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
CID 90679319

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 22261435) is 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(C(F)F)cc2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is YXDVZDRCNFHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-13-7-5-11(6-8-13)15-14(21-17(22)23-15)9-10-1-3-12(4-2-10)16(19)20/h1-8,14-16H,9H2,(H,21,22).
What are the key properties of 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 321.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).