3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

C11H16N4O2 — CID 75500257

IUPAC3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(Cn2ccnc2C(C)C)n1
InChIInChI=1S/C11H16N4O2/c1-8(2)11-12-4-5-15(11)6-10-13-9(7-16-3)14-17-10/h4-5,8H,6-7H2,1-3H3
InChIKeyMSEXHDCJYTZZDC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.58
Rot. Bonds5

About 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 75500257) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID75500257
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(Cn2ccnc2C(C)C)n1
InChIInChI=1S/C11H16N4O2/c1-8(2)11-12-4-5-15(11)6-10-13-9(7-16-3)14-17-10/h4-5,8H,6-7H2,1-3H3
InChIKeyMSEXHDCJYTZZDC-UHFFFAOYSA-N
XLogP1.58
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 75500257) is 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is COCc1noc(Cn2ccnc2C(C)C)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MSEXHDCJYTZZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(2)11-12-4-5-15(11)6-10-13-9(7-16-3)14-17-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75500257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).