2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole

C9H16N2O2 — CID 155358786

IUPAC2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(CCC(C)C)o1
InChIInChI=1S/C9H16N2O2/c1-7(2)4-5-8-10-11-9(13-8)6-12-3/h7H,4-6H2,1-3H3
InChIKeyRJQXGSIZRPQQDG-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.80
Rot. Bonds5

About 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole

2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole (PubChem CID 155358786) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole
PubChem CID155358786
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(CCC(C)C)o1
InChIInChI=1S/C9H16N2O2/c1-7(2)4-5-8-10-11-9(13-8)6-12-3/h7H,4-6H2,1-3H3
InChIKeyRJQXGSIZRPQQDG-UHFFFAOYSA-N
XLogP1.80
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 145111340
(1R)-1-[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 121451248
2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
CID 126677267
2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
CID 126677268
2-(1-Methoxycyclobutyl)-5-methyl-1,3,4-oxadiazole
CID 126996790
2-Cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole
CID 130643519
1-(5-Tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-ol
CID 140106178
Tert-butyl-dimethyl-[[5-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methoxy]silane
CID 140825216
(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)methanol;ethane
CID 145111243
1-(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane
CID 145111247
2-Cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole
CID 145111293
2-Cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole
CID 145111344

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole (CID 155358786) is 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole is COCc1nnc(CCC(C)C)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole?
The InChIKey is RJQXGSIZRPQQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)4-5-8-10-11-9(13-8)6-12-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole has a molecular weight of 184.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(3-methylbutyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155358786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).