5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole

C12H15N5O — CID 73439792

IUPAC5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cncnc2C2CCNC2)no1
InChIInChI=1S/C12H15N5O/c1-2-10-16-12(17-18-10)9-6-14-7-15-11(9)8-3-4-13-5-8/h6-8,13H,2-5H2,1H3
InChIKeyIBPMVOADBZCOPH-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.17
Rot. Bonds3

About 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole

5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 73439792) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID73439792
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cncnc2C2CCNC2)no1
InChIInChI=1S/C12H15N5O/c1-2-10-16-12(17-18-10)9-6-14-7-15-11(9)8-3-4-13-5-8/h6-8,13H,2-5H2,1H3
InChIKeyIBPMVOADBZCOPH-UHFFFAOYSA-N
XLogP1.17
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 73439792) is 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole is CCc1nc(-c2cncnc2C2CCNC2)no1.
What is the InChIKey of 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is IBPMVOADBZCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-10-16-12(17-18-10)9-6-14-7-15-11(9)8-3-4-13-5-8/h6-8,13H,2-5H2,1H3.
What are the key properties of 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 245.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-pyrrolidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 73439792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).