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

C12H16N4O3 — CID 25248363

IUPACethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C(C)Cn2cc(C)cn2)no1
InChIInChI=1S/C12H16N4O3/c1-4-18-12(17)11-14-10(15-19-11)9(3)7-16-6-8(2)5-13-16/h5-6,9H,4,7H2,1-3H3
InChIKeyJFJAGXQLLMXGRS-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.55
Rot. Bonds5

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

ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 25248363) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID25248363
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Nameethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C(C)Cn2cc(C)cn2)no1
InChIInChI=1S/C12H16N4O3/c1-4-18-12(17)11-14-10(15-19-11)9(3)7-16-6-8(2)5-13-16/h5-6,9H,4,7H2,1-3H3
InChIKeyJFJAGXQLLMXGRS-UHFFFAOYSA-N
XLogP1.55
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate (CID 25248363) is ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(C(C)Cn2cc(C)cn2)no1.
What is the InChIKey of ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is JFJAGXQLLMXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-4-18-12(17)11-14-10(15-19-11)9(3)7-16-6-8(2)5-13-16/h5-6,9H,4,7H2,1-3H3.
What are the key properties of ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 25248363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).