3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole

C14H20N2O2 — CID 2952018

IUPAC3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O2/c1-9-13(16-18-15-9)17-8-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3
InChIKeyPSUMINFHDRKMFJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.97
Rot. Bonds3

About 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole

3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole (PubChem CID 2952018) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole
PubChem CID2952018
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O2/c1-9-13(16-18-15-9)17-8-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3
InChIKeyPSUMINFHDRKMFJ-UHFFFAOYSA-N
XLogP2.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole (CID 2952018) is 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole is Cc1nonc1OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole?
The InChIKey is PSUMINFHDRKMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-13(16-18-15-9)17-8-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3.
What are the key properties of 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole?
3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole has a molecular weight of 248.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 2952018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).