1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde

C13H20N2O2 — CID 167077889

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde
SMILESCc1noc(CCCC2(C=O)CCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-11-14-12(17-15-11)6-5-9-13(10-16)7-3-2-4-8-13/h10H,2-9H2,1H3
InChIKeyNRYFQHLLGJTNIG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde (PubChem CID 167077889) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde
PubChem CID167077889
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde
SMILESCc1noc(CCCC2(C=O)CCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-11-14-12(17-15-11)6-5-9-13(10-16)7-3-2-4-8-13/h10H,2-9H2,1H3
InChIKeyNRYFQHLLGJTNIG-UHFFFAOYSA-N
XLogP2.85
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde (CID 167077889) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde is Cc1noc(CCCC2(C=O)CCCCC2)n1.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde?
The InChIKey is NRYFQHLLGJTNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-14-12(17-15-11)6-5-9-13(10-16)7-3-2-4-8-13/h10H,2-9H2,1H3.
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde has a molecular weight of 236.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 167077889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).