2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one

C12H11F2NO2 — CID 139252960

IUPAC2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2c(F)cccc2F)OC1=O
InChIInChI=1S/C12H11F2NO2/c1-6(2)10-12(16)17-11(15-10)9-7(13)4-3-5-8(9)14/h3-6,10H,1-2H3
InChIKeyTVWVZQKKYASKLW-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.29
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one

2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 139252960) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID139252960
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2c(F)cccc2F)OC1=O
InChIInChI=1S/C12H11F2NO2/c1-6(2)10-12(16)17-11(15-10)9-7(13)4-3-5-8(9)14/h3-6,10H,1-2H3
InChIKeyTVWVZQKKYASKLW-UHFFFAOYSA-N
XLogP2.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.29
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
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
6-Phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 504604

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 139252960) is 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(c2c(F)cccc2F)OC1=O.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is TVWVZQKKYASKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-6(2)10-12(16)17-11(15-10)9-7(13)4-3-5-8(9)14/h3-6,10H,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 239.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 139252960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).