5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole

C11H16N4O3 — CID 99839152

IUPAC5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
SMILESCCn1cc(OCc2nc([C@H](C)OC)no2)cn1
InChIInChI=1S/C11H16N4O3/c1-4-15-6-9(5-12-15)17-7-10-13-11(14-18-10)8(2)16-3/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyIVSGYFADJAHLTL-QMMMGPOBSA-N
MW252.27 g/mol
LogP1.57
Rot. Bonds6

About 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole

5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole (PubChem CID 99839152) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
PubChem CID99839152
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
SMILESCCn1cc(OCc2nc([C@H](C)OC)no2)cn1
InChIInChI=1S/C11H16N4O3/c1-4-15-6-9(5-12-15)17-7-10-13-11(14-18-10)8(2)16-3/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1
InChIKeyIVSGYFADJAHLTL-QMMMGPOBSA-N
XLogP1.57
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole (CID 99839152) is 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole is CCn1cc(OCc2nc([C@H](C)OC)no2)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
The InChIKey is IVSGYFADJAHLTL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-15-6-9(5-12-15)17-7-10-13-11(14-18-10)8(2)16-3/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole has a molecular weight of 252.27 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99839152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).