5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

C11H13N5O — CID 63145088

IUPAC5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ncccn3)no2)CCNC1
InChIInChI=1S/C11H13N5O/c1-11(3-6-12-7-11)10-15-9(16-17-10)8-13-4-2-5-14-8/h2,4-5,12H,3,6-7H2,1H3
InChIKeyKAKDUQFZUCXDRJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.78
Rot. Bonds2

About 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 63145088) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID63145088
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ncccn3)no2)CCNC1
InChIInChI=1S/C11H13N5O/c1-11(3-6-12-7-11)10-15-9(16-17-10)8-13-4-2-5-14-8/h2,4-5,12H,3,6-7H2,1H3
InChIKeyKAKDUQFZUCXDRJ-UHFFFAOYSA-N
XLogP0.78
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 63145088) is 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole is CC1(c2nc(-c3ncccn3)no2)CCNC1.
What is the InChIKey of 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is KAKDUQFZUCXDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-11(3-6-12-7-11)10-15-9(16-17-10)8-13-4-2-5-14-8/h2,4-5,12H,3,6-7H2,1H3.
What are the key properties of 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63145088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).