5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C13H17N3O3 — CID 99851647

IUPAC5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCC[C@H](C)Oc1cc(-c2nc(COC)no2)ccn1
InChIInChI=1S/C13H17N3O3/c1-4-9(2)18-12-7-10(5-6-14-12)13-15-11(8-17-3)16-19-13/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1
InChIKeyXFJBTRPYVDEATJ-VIFPVBQESA-N
MW263.30 g/mol
LogP2.46
Rot. Bonds6

About 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 99851647) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID99851647
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCC[C@H](C)Oc1cc(-c2nc(COC)no2)ccn1
InChIInChI=1S/C13H17N3O3/c1-4-9(2)18-12-7-10(5-6-14-12)13-15-11(8-17-3)16-19-13/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1
InChIKeyXFJBTRPYVDEATJ-VIFPVBQESA-N
XLogP2.46
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 99851647) is 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole is CC[C@H](C)Oc1cc(-c2nc(COC)no2)ccn1.
What is the InChIKey of 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is XFJBTRPYVDEATJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-9(2)18-12-7-10(5-6-14-12)13-15-11(8-17-3)16-19-13/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 99851647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).