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

C9H12N4O2 — CID 116794198

IUPAC2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(COc2cnn(C)c2)o1
InChIInChI=1S/C9H12N4O2/c1-3-8-11-12-9(15-8)6-14-7-4-10-13(2)5-7/h4-5H,3,6H2,1-2H3
InChIKeyKRGNMAQGKPMQLN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.94
Rot. Bonds4

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

2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 116794198) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
PubChem CID116794198
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(COc2cnn(C)c2)o1
InChIInChI=1S/C9H12N4O2/c1-3-8-11-12-9(15-8)6-14-7-4-10-13(2)5-7/h4-5H,3,6H2,1-2H3
InChIKeyKRGNMAQGKPMQLN-UHFFFAOYSA-N
XLogP0.94
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116805111
4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
CID 116793938
5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 116794038
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-(furan-3-ylmethoxy)-1-methylpyrazole
CID 116793970
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 75483681
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
2,5-diethyl-1,3,4-oxadiazole
CID 11029848
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole (CID 116794198) is 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole is CCc1nnc(COc2cnn(C)c2)o1.
What is the InChIKey of 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is KRGNMAQGKPMQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-3-8-11-12-9(15-8)6-14-7-4-10-13(2)5-7/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 208.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 116794198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).