1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H22N2O3 — CID 171982109

IUPAC1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(C3CCCCC3)O2)cc1
InChIInChI=1S/C17H22N2O3/c1-12(20)19-17(14-6-4-3-5-7-14)22-16(18-19)13-8-10-15(21-2)11-9-13/h8-11,14,17H,3-7H2,1-2H3
InChIKeyWSZQBHGUPFGPPE-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 171982109) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID171982109
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(C3CCCCC3)O2)cc1
InChIInChI=1S/C17H22N2O3/c1-12(20)19-17(14-6-4-3-5-7-14)22-16(18-19)13-8-10-15(21-2)11-9-13/h8-11,14,17H,3-7H2,1-2H3
InChIKeyWSZQBHGUPFGPPE-UHFFFAOYSA-N
XLogP3.14
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53019708
1-[5-(4-bromophenyl)-2-[(4-methoxyphenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22577233
1-[(2R)-2-[(4-methoxyphenoxy)methyl]-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712930
1-[(2R)-5-(4-bromophenyl)-2-(2,5-dimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 40772003
1-[(2S)-5-(3,5-dinitrophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063907
1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one
CID 957372
1-[(2R)-2,5-bis(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 752951
[2-[3-acetyl-5-[4-[(4-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-2-yl]-4-methoxyphenyl] acetate
CID 46352200
[(2S,3R)-3-cyclohexyloxiran-2-yl]-(4-methoxyphenyl)methanone
CID 87794859
1-[3-(2-bromo-4,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71922742
[2-[(2R)-3-acetyl-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]-4-chlorophenyl] acetate
CID 95053147
1-[5-(4-bromophenyl)-2-(3-hydroxy-4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53004066

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 171982109) is 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2=NN(C(C)=O)C(C3CCCCC3)O2)cc1.
What is the InChIKey of 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is WSZQBHGUPFGPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(20)19-17(14-6-4-3-5-7-14)22-16(18-19)13-8-10-15(21-2)11-9-13/h8-11,14,17H,3-7H2,1-2H3.
What are the key properties of 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 302.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 171982109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).