2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole

C11H16N4O2 — CID 116805111

IUPAC2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCCCn1cc(OCc2nnc(CC)o2)cn1
InChIInChI=1S/C11H16N4O2/c1-3-5-15-7-9(6-12-15)16-8-11-14-13-10(4-2)17-11/h6-7H,3-5,8H2,1-2H3
InChIKeyMWFZDVAOAKODDE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.82
Rot. Bonds6

About 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole

2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 116805111) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
PubChem CID116805111
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCCCn1cc(OCc2nnc(CC)o2)cn1
InChIInChI=1S/C11H16N4O2/c1-3-5-15-7-9(6-12-15)16-8-11-14-13-10(4-2)17-11/h6-7H,3-5,8H2,1-2H3
InChIKeyMWFZDVAOAKODDE-UHFFFAOYSA-N
XLogP1.82
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
4-propoxy-1-propylpyrazole
CID 116805185
3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
CID 116805089
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803528
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
4-[2-(bromomethyl)-3-methylbutoxy]-1-propylpyrazole
CID 116800925
2-[(1-propylpyrazol-4-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 116804906
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole (CID 116805111) is 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole is CCCn1cc(OCc2nnc(CC)o2)cn1.
What is the InChIKey of 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is MWFZDVAOAKODDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-5-15-7-9(6-12-15)16-8-11-14-13-10(4-2)17-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 116805111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).