4-cyclohexyl-1,2-oxazole-5-carbaldehyde

C10H13NO2 — CID 105422726

IUPAC4-cyclohexyl-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1oncc1C1CCCCC1
InChIInChI=1S/C10H13NO2/c12-7-10-9(6-11-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLDQDLRQQDRBSIG-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.53
Rot. Bonds2

About 4-cyclohexyl-1,2-oxazole-5-carbaldehyde

4-cyclohexyl-1,2-oxazole-5-carbaldehyde (PubChem CID 105422726) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-cyclohexyl-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-1,2-oxazole-5-carbaldehyde
PubChem CID105422726
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-cyclohexyl-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1oncc1C1CCCCC1
InChIInChI=1S/C10H13NO2/c12-7-10-9(6-11-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLDQDLRQQDRBSIG-UHFFFAOYSA-N
XLogP2.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.53
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-cyclohexyl-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 4-cyclohexyl-1,2-oxazole-5-carbaldehyde (CID 105422726) is 4-cyclohexyl-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-1,2-oxazole-5-carbaldehyde is O=Cc1oncc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1,2-oxazole-5-carbaldehyde?
The InChIKey is LDQDLRQQDRBSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-7-10-9(6-11-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 4-cyclohexyl-1,2-oxazole-5-carbaldehyde?
4-cyclohexyl-1,2-oxazole-5-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 105422726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).