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

C10H14N4O2 — CID 116805089

IUPAC3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
SMILESCCCn1cc(OCc2nonc2C)cn1
InChIInChI=1S/C10H14N4O2/c1-3-4-14-6-9(5-11-14)15-7-10-8(2)12-16-13-10/h5-6H,3-4,7H2,1-2H3
InChIKeyKOIHQSPTPJMYKI-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.56
Rot. Bonds5

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

3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole (PubChem CID 116805089) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
PubChem CID116805089
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
SMILESCCCn1cc(OCc2nonc2C)cn1
InChIInChI=1S/C10H14N4O2/c1-3-4-14-6-9(5-11-14)15-7-10-8(2)12-16-13-10/h5-6H,3-4,7H2,1-2H3
InChIKeyKOIHQSPTPJMYKI-UHFFFAOYSA-N
XLogP1.56
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-propoxy-1-propylpyrazole
CID 116805185
2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116805111
[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803528
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116800021
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
2-methyl-N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 116803459
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
2-[(1-propylpyrazol-4-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 116804906
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
N-ethyl-N-methyl-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804991

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole (CID 116805089) is 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole is CCCn1cc(OCc2nonc2C)cn1.
What is the InChIKey of 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole?
The InChIKey is KOIHQSPTPJMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-4-14-6-9(5-11-14)15-7-10-8(2)12-16-13-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole?
3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole has a molecular weight of 222.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole is sourced from PubChem (CID 116805089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).