3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

C14H19N5O — CID 106977992

IUPAC3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ncc(C)cn3)no2)CCCN1
InChIInChI=1S/C14H19N5O/c1-3-5-14(6-4-7-17-14)13-18-12(19-20-13)11-15-8-10(2)9-16-11/h8-9,17H,3-7H2,1-2H3
InChIKeyGEXKXEKNMRRWQC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.21
Rot. Bonds4

About 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106977992) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106977992
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ncc(C)cn3)no2)CCCN1
InChIInChI=1S/C14H19N5O/c1-3-5-14(6-4-7-17-14)13-18-12(19-20-13)11-15-8-10(2)9-16-11/h8-9,17H,3-7H2,1-2H3
InChIKeyGEXKXEKNMRRWQC-UHFFFAOYSA-N
XLogP2.21
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106977992) is 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3ncc(C)cn3)no2)CCCN1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is GEXKXEKNMRRWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-5-14(6-4-7-17-14)13-18-12(19-20-13)11-15-8-10(2)9-16-11/h8-9,17H,3-7H2,1-2H3.
What are the key properties of 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).