5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

C16H20N2O3 — CID 957265

IUPAC5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCCCC3)n2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-19-13-9-8-12(10-14(13)20-2)15-17-16(21-18-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyWVSYZVOJGICCSU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.80
Rot. Bonds4

About 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 957265) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID957265
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCCCC3)n2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-19-13-9-8-12(10-14(13)20-2)15-17-16(21-18-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyWVSYZVOJGICCSU-UHFFFAOYSA-N
XLogP3.80
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 847024
5-cyclopentyl-3-(3-methoxy-4-prop-2-enoxyphenyl)-1,2,4-oxadiazole
CID 42851452
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107923168
[4-[4-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]phenyl]-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59651080
1-[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-ethylbutan-1-one
CID 1456447
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 27444747
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 1456549
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3226114

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CID 957265) is 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(C3CCCCC3)n2)cc1OC.
What is the InChIKey of 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WVSYZVOJGICCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-13-9-8-12(10-14(13)20-2)15-17-16(21-18-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 957265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).