methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate

C11H14N4O3 — CID 19542381

IUPACmethyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCCn1ncc(-c2nnc(CC(=O)OC)o2)c1C
InChIInChI=1S/C11H14N4O3/c1-4-15-7(2)8(6-12-15)11-14-13-9(18-11)5-10(16)17-3/h6H,4-5H2,1-3H3
InChIKeyVRRFZYJDYABWRU-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.98
Rot. Bonds4

About methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate

methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 19542381) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate
PubChem CID19542381
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCCn1ncc(-c2nnc(CC(=O)OC)o2)c1C
InChIInChI=1S/C11H14N4O3/c1-4-15-7(2)8(6-12-15)11-14-13-9(18-11)5-10(16)17-3/h6H,4-5H2,1-3H3
InChIKeyVRRFZYJDYABWRU-UHFFFAOYSA-N
XLogP0.98
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate (CID 19542381) is methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate is CCn1ncc(-c2nnc(CC(=O)OC)o2)c1C.
What is the InChIKey of methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is VRRFZYJDYABWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-15-7(2)8(6-12-15)11-14-13-9(18-11)5-10(16)17-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate?
methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 250.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 19542381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).