4-cyclohexyl-1,3-oxazole-5-carbaldehyde

C10H13NO2 — CID 83816829

IUPAC4-cyclohexyl-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1ocnc1C1CCCCC1
InChIInChI=1S/C10H13NO2/c12-6-9-10(11-7-13-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyWZSMHHXDKVAOAO-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.53
Rot. Bonds2

About 4-cyclohexyl-1,3-oxazole-5-carbaldehyde

4-cyclohexyl-1,3-oxazole-5-carbaldehyde (PubChem CID 83816829) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-cyclohexyl-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-1,3-oxazole-5-carbaldehyde
PubChem CID83816829
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-cyclohexyl-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1ocnc1C1CCCCC1
InChIInChI=1S/C10H13NO2/c12-6-9-10(11-7-13-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyWZSMHHXDKVAOAO-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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Related Compounds

5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681
4-cyclohexyl-1,2-oxazole-5-carbaldehyde
CID 105422726
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380
4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 134442707
5-cyclohexyl-3-methylfuran-2-carbaldehyde
CID 19430344
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
5-cyclohexyl-1,2-oxazole-3-carbaldehyde
CID 82409658
5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 165475526
5-cyclohexyl-1,2-oxazole-4-carbaldehyde
CID 82409621
5-cycloheptyl-3-methyltriazole-4-carbaldehyde
CID 105460836
4-cyclohexylfuran-2-carbaldehyde;ethane
CID 142856925
N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79145527

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-cyclohexyl-1,3-oxazole-5-carbaldehyde (CID 83816829) is 4-cyclohexyl-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-1,3-oxazole-5-carbaldehyde is O=Cc1ocnc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1,3-oxazole-5-carbaldehyde?
The InChIKey is WZSMHHXDKVAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-9-10(11-7-13-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 4-cyclohexyl-1,3-oxazole-5-carbaldehyde?
4-cyclohexyl-1,3-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-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 83816829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).