5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole

C6H10N2O2 — CID 67275781

IUPAC5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOCC(C)c1ncno1
InChIInChI=1S/C6H10N2O2/c1-5(3-9-2)6-7-4-8-10-6/h4-5H,3H2,1-2H3
InChIKeyPYWLOUXTVQNRCV-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.82
Rot. Bonds3

About 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole

5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 67275781) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID67275781
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOCC(C)c1ncno1
InChIInChI=1S/C6H10N2O2/c1-5(3-9-2)6-7-4-8-10-6/h4-5H,3H2,1-2H3
InChIKeyPYWLOUXTVQNRCV-UHFFFAOYSA-N
XLogP0.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 67275781) is 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole is COCC(C)c1ncno1.
What is the InChIKey of 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is PYWLOUXTVQNRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(3-9-2)6-7-4-8-10-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 142.16 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 67275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).