5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole

C19H28N2O3 — CID 141032830

IUPAC5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole
SMILESCOC1=NN(c2cccc(OC3CC(C)(C)CC(C)(C)C3)c2)CO1
InChIInChI=1S/C19H28N2O3/c1-18(2)10-16(11-19(3,4)12-18)24-15-8-6-7-14(9-15)21-13-23-17(20-21)22-5/h6-9,16H,10-13H2,1-5H3
InChIKeyMAGNWCBGYOURSF-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.38
Rot. Bonds3

About 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole

5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole (PubChem CID 141032830) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole
PubChem CID141032830
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole
SMILESCOC1=NN(c2cccc(OC3CC(C)(C)CC(C)(C)C3)c2)CO1
InChIInChI=1S/C19H28N2O3/c1-18(2)10-16(11-19(3,4)12-18)24-15-8-6-7-14(9-15)21-13-23-17(20-21)22-5/h6-9,16H,10-13H2,1-5H3
InChIKeyMAGNWCBGYOURSF-UHFFFAOYSA-N
XLogP4.38
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole with MolForge

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Related Compounds

5-propan-2-yloxy-3-[4-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole
CID 141075200
(3,3,5,5-tetramethylcyclohexyl)oxybenzene
CID 141032828
CID 58662919
CID 58662919
1-fluoro-3-(3-methylcyclobutyl)oxybenzene
CID 142422559
5-propan-2-yloxy-3-[4-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-1,3,4-oxadiazol-2-one
CID 18184746
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole
CID 173054294
1-(3-methoxyphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020135
3-(3-methoxyphenoxy)cyclobutan-1-amine
CID 66356689
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
2-(3-methylphenoxy)oxirane
CID 89025102

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole?
The IUPAC name of 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole (CID 141032830) is 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole is COC1=NN(c2cccc(OC3CC(C)(C)CC(C)(C)C3)c2)CO1.
What is the InChIKey of 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole?
The InChIKey is MAGNWCBGYOURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2)10-16(11-19(3,4)12-18)24-15-8-6-7-14(9-15)21-13-23-17(20-21)22-5/h6-9,16H,10-13H2,1-5H3.
What are the key properties of 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole?
5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole has a molecular weight of 332.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[3-(3,3,5,5-tetramethylcyclohexyl)oxyphenyl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 141032830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).