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

C10H7F2NO2 — CID 139252950

IUPAC2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
SMILESCC1N=C(c2ccc(F)cc2F)OC1=O
InChIInChI=1S/C10H7F2NO2/c1-5-10(14)15-9(13-5)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyLEYYELROWNLDAI-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.66
Rot. Bonds1

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

2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one (PubChem CID 139252950) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
PubChem CID139252950
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
SMILESCC1N=C(c2ccc(F)cc2F)OC1=O
InChIInChI=1S/C10H7F2NO2/c1-5-10(14)15-9(13-5)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyLEYYELROWNLDAI-UHFFFAOYSA-N
XLogP1.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
4-(Ethoxymethylene)-2-(4-fluorophenyl)-1,3-oxazolin-5-one
CID 6531488
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(Z)-4-(4-fluorobenzylidene)-2-(4-fluorophenyl)oxazol-5(4H)-one
CID 830867
(4Z)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 1911978

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one (CID 139252950) is 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one is CC1N=C(c2ccc(F)cc2F)OC1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
The InChIKey is LEYYELROWNLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-5-10(14)15-9(13-5)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one has a molecular weight of 211.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 139252950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).