5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde

C12H10FNO2 — CID 105473580

IUPAC5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde
SMILESCCc1oc(C=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2/c1-2-10-12(14-11(7-15)16-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyPERHGCRCEDPDRP-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.86
Rot. Bonds3

About 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde

5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde (PubChem CID 105473580) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde
PubChem CID105473580
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde
SMILESCCc1oc(C=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2/c1-2-10-12(14-11(7-15)16-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyPERHGCRCEDPDRP-UHFFFAOYSA-N
XLogP2.86
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.86
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 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde (CID 105473580) is 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde is CCc1oc(C=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde?
The InChIKey is PERHGCRCEDPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-2-10-12(14-11(7-15)16-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde?
5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde has a molecular weight of 219.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-fluorophenyl)-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 105473580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).