3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole

C12H15N3O3 — CID 126837683

IUPAC3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ncccc2OC(C)C)n1
InChIInChI=1S/C12H15N3O3/c1-8(2)17-9-5-4-6-13-11(9)12-14-10(7-16-3)15-18-12/h4-6,8H,7H2,1-3H3
InChIKeyRFHIEPFEIZVADL-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.07
Rot. Bonds5

About 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole

3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 126837683) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID126837683
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ncccc2OC(C)C)n1
InChIInChI=1S/C12H15N3O3/c1-8(2)17-9-5-4-6-13-11(9)12-14-10(7-16-3)15-18-12/h4-6,8H,7H2,1-3H3
InChIKeyRFHIEPFEIZVADL-UHFFFAOYSA-N
XLogP2.07
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole (CID 126837683) is 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole is COCc1noc(-c2ncccc2OC(C)C)n1.
What is the InChIKey of 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is RFHIEPFEIZVADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(2)17-9-5-4-6-13-11(9)12-14-10(7-16-3)15-18-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole?
3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 249.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126837683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).