2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole

C8H14N2O2 — CID 131179232

IUPAC2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1nnc(COC(C)(C)C)o1
InChIInChI=1S/C8H14N2O2/c1-6-9-10-7(12-6)5-11-8(2,3)4/h5H2,1-4H3
InChIKeyDMVZEVJCZLNKIV-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole

2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 131179232) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole
PubChem CID131179232
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1nnc(COC(C)(C)C)o1
InChIInChI=1S/C8H14N2O2/c1-6-9-10-7(12-6)5-11-8(2,3)4/h5H2,1-4H3
InChIKeyDMVZEVJCZLNKIV-UHFFFAOYSA-N
XLogP1.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole (CID 131179232) is 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole is Cc1nnc(COC(C)(C)C)o1.
What is the InChIKey of 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is DMVZEVJCZLNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-9-10-7(12-6)5-11-8(2,3)4/h5H2,1-4H3.
What are the key properties of 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole?
2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 170.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 131179232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).