4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde

C10H12ClNO2 — CID 83909881

IUPAC4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(C2CCCCC2)c1Cl
InChIInChI=1S/C10H12ClNO2/c11-9-8(6-13)12-14-10(9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyHGHVWYPEPOLWOG-UHFFFAOYSA-N
MW213.66 g/mol
LogP3.19
Rot. Bonds2

About 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde

4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde (PubChem CID 83909881) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde
PubChem CID83909881
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(C2CCCCC2)c1Cl
InChIInChI=1S/C10H12ClNO2/c11-9-8(6-13)12-14-10(9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyHGHVWYPEPOLWOG-UHFFFAOYSA-N
XLogP3.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 53.19
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

4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
CID 83912815
5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 165475526
5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681
5-cyclohexyl-1,2-oxazole-4-carbaldehyde
CID 82409621
5-cyclohexyl-1,2-oxazole-3-carbaldehyde
CID 82409658
3-bromo-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 83910012
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 139345619
4-cyclohexyl-1,2-oxazole-5-carbaldehyde
CID 105422726
5-cyclohexyl-2-cyclopropylfuran-3-carbaldehyde
CID 165451234
5-cyclobutyl-4-methyl-1,2-oxazol-3-amine
CID 66198796
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde (CID 83909881) is 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde is O=Cc1noc(C2CCCCC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde?
The InChIKey is HGHVWYPEPOLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-8(6-13)12-14-10(9)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde?
4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde has a molecular weight of 213.66 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 83909881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).