4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde

C12H14F3NO2 — CID 87538562

IUPAC4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(C2CCC(C(F)(F)F)CC2)oc1C=O
InChIInChI=1S/C12H14F3NO2/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h6,8-9H,2-5H2,1H3
InChIKeyJRVFSWWHKXYVJZ-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.63
Rot. Bonds2

About 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde

4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde (PubChem CID 87538562) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde
PubChem CID87538562
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(C2CCC(C(F)(F)F)CC2)oc1C=O
InChIInChI=1S/C12H14F3NO2/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h6,8-9H,2-5H2,1H3
InChIKeyJRVFSWWHKXYVJZ-UHFFFAOYSA-N
XLogP3.63
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.63
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 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde (CID 87538562) is 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde is Cc1nc(C2CCC(C(F)(F)F)CC2)oc1C=O.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde?
The InChIKey is JRVFSWWHKXYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h6,8-9H,2-5H2,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde?
4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde has a molecular weight of 261.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 87538562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).