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

C5H5Br3N2O2 — CID 101483036

IUPAC2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(C(Br)(Br)Br)o1
InChIInChI=1S/C5H5Br3N2O2/c1-11-2-3-9-10-4(12-3)5(6,7)8/h2H2,1H3
InChIKeyLDANVYFFQAGZOR-UHFFFAOYSA-N
MW364.82 g/mol
LogP2.51
Rot. Bonds2

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

2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole (PubChem CID 101483036) has the molecular formula C5H5Br3N2O2 and a molecular weight of 364.82 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole
PubChem CID101483036
Molecular FormulaC5H5Br3N2O2
Molecular Weight364.82 g/mol
Exact Mass361.79
IUPAC Name2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(C(Br)(Br)Br)o1
InChIInChI=1S/C5H5Br3N2O2/c1-11-2-3-9-10-4(12-3)5(6,7)8/h2H2,1H3
InChIKeyLDANVYFFQAGZOR-UHFFFAOYSA-N
XLogP2.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 122164310
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138711
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 53017537
1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62857091
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
CID 137221851
2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 163255292
2-(methoxymethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
CID 130693373

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole (CID 101483036) is 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole is COCc1nnc(C(Br)(Br)Br)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole?
The InChIKey is LDANVYFFQAGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br3N2O2/c1-11-2-3-9-10-4(12-3)5(6,7)8/h2H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole has a molecular weight of 364.82 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(tribromomethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 101483036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).