2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde

C12H11F2NO2 — CID 174767124

IUPAC2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
SMILESCC1(C)N=C(c2c(F)cccc2F)OC1C=O
InChIInChI=1S/C12H11F2NO2/c1-12(2)9(6-16)17-11(15-12)10-7(13)4-3-5-8(10)14/h3-6,9H,1-2H3
InChIKeyBVJVLSFXTLFUQX-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.09
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde

2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde (PubChem CID 174767124) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
PubChem CID174767124
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
SMILESCC1(C)N=C(c2c(F)cccc2F)OC1C=O
InChIInChI=1S/C12H11F2NO2/c1-12(2)9(6-16)17-11(15-12)10-7(13)4-3-5-8(10)14/h3-6,9H,1-2H3
InChIKeyBVJVLSFXTLFUQX-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde (CID 174767124) is 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde is CC1(C)N=C(c2c(F)cccc2F)OC1C=O.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
The InChIKey is BVJVLSFXTLFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-12(2)9(6-16)17-11(15-12)10-7(13)4-3-5-8(10)14/h3-6,9H,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde?
2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde has a molecular weight of 239.22 g/mol, XLogP of 2.09, 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)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 174767124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).