2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde

C12H12FNO2 — CID 86617888

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde
SMILESCC1(C)COC(c2ccc(F)cc2C=O)=N1
InChIInChI=1S/C12H12FNO2/c1-12(2)7-16-11(14-12)10-4-3-9(13)5-8(10)6-15/h3-6H,7H2,1-2H3
InChIKeyMAZYHNQDSIPXQS-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.19
Rot. Bonds2

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde (PubChem CID 86617888) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde
PubChem CID86617888
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde
SMILESCC1(C)COC(c2ccc(F)cc2C=O)=N1
InChIInChI=1S/C12H12FNO2/c1-12(2)7-16-11(14-12)10-4-3-9(13)5-8(10)6-15/h3-6H,7H2,1-2H3
InChIKeyMAZYHNQDSIPXQS-UHFFFAOYSA-N
XLogP2.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.19
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-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde (CID 86617888) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde is CC1(C)COC(c2ccc(F)cc2C=O)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde?
The InChIKey is MAZYHNQDSIPXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-12(2)7-16-11(14-12)10-4-3-9(13)5-8(10)6-15/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde has a molecular weight of 221.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 86617888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).