1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

C12H19N5O — CID 66122133

IUPAC1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2cc(CC)nn2C)n1
InChIInChI=1S/C12H19N5O/c1-4-6-9(13)11-14-12(18-16-11)10-7-8(5-2)15-17(10)3/h7,9H,4-6,13H2,1-3H3
InChIKeyOCWSQIVCFJNNIT-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.83
Rot. Bonds5

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

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 66122133) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID66122133
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2cc(CC)nn2C)n1
InChIInChI=1S/C12H19N5O/c1-4-6-9(13)11-14-12(18-16-11)10-7-8(5-2)15-17(10)3/h7,9H,4-6,13H2,1-3H3
InChIKeyOCWSQIVCFJNNIT-UHFFFAOYSA-N
XLogP1.83
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 66122133) is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(-c2cc(CC)nn2C)n1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is OCWSQIVCFJNNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-6-9(13)11-14-12(18-16-11)10-7-8(5-2)15-17(10)3/h7,9H,4-6,13H2,1-3H3.
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 66122133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).