5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde

C8H10FNO2 — CID 84765912

IUPAC5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde
SMILESCc1nc(C=O)oc1C(C)(C)F
InChIInChI=1S/C8H10FNO2/c1-5-7(8(2,3)9)12-6(4-11)10-5/h4H,1-3H3
InChIKeyUNKOFRPFDKFHKU-UHFFFAOYSA-N
MW171.17 g/mol
LogP2.00
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde

5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde (PubChem CID 84765912) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde
PubChem CID84765912
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde
SMILESCc1nc(C=O)oc1C(C)(C)F
InChIInChI=1S/C8H10FNO2/c1-5-7(8(2,3)9)12-6(4-11)10-5/h4H,1-3H3
InChIKeyUNKOFRPFDKFHKU-UHFFFAOYSA-N
XLogP2.00
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-4-methyl-1,3-oxazole-2-carbaldehyde
CID 105433419
5-(2-tert-butylsilyloxypropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde
CID 131739057
4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453415
5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde
CID 105429873
4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
CID 82400699
4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
CID 105457027
4-tert-butyl-2-methyl-1,3-oxazole-5-carbaldehyde
CID 83815982
(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate
CID 102524597
thieno[3,4-d][1,3]oxazole-2-carbaldehyde
CID 82416977
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
2,4,5,6-tetramethylpyridine-3-carbaldehyde
CID 18734948
5,6-dimethylpyrazine-2,3-dicarbaldehyde
CID 22151767

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde (CID 84765912) is 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde is Cc1nc(C=O)oc1C(C)(C)F.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde?
The InChIKey is UNKOFRPFDKFHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-5-7(8(2,3)9)12-6(4-11)10-5/h4H,1-3H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde?
5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde has a molecular weight of 171.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 84765912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).