3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde

C15H16N2O2 — CID 55243061

IUPAC3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(C2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C15H16N2O2/c18-11-13-16-14(17-19-13)15(9-5-2-6-10-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyPDDKKNAINFIJLO-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.13
Rot. Bonds3

About 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde

3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 55243061) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID55243061
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESO=Cc1nc(C2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C15H16N2O2/c18-11-13-16-14(17-19-13)15(9-5-2-6-10-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyPDDKKNAINFIJLO-UHFFFAOYSA-N
XLogP3.13
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Oxadiazole, 5-methyl-3-(phenylmethyl)-
CID 12481940
3-Phenyl-1,2,4-oxadiazole-5-carbaldehyde
CID 12570012
5-Ethyl-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 137984008
3-(4-Fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773032
3-(3-Fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773198
3-[(2-Fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 175927019
CID 13676627
CID 13676627
3-Benzhydryl-5-methyl-1,2,4-oxadiazole
CID 168328515
1-[3-[(3-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63344221
1-[3-[(2-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345374
1-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346722
3-(2-Fluorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63771832

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde (CID 55243061) is 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde is O=Cc1nc(C2(c3ccccc3)CCCCC2)no1.
What is the InChIKey of 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is PDDKKNAINFIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-11-13-16-14(17-19-13)15(9-5-2-6-10-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde?
3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 256.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 55243061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).