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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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).