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

C11H13N5O — CID 110254289

IUPAC3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ncccn3)C2)n1
InChIInChI=1S/C11H13N5O/c1-8-14-10(17-15-8)9-3-6-16(7-9)11-12-4-2-5-13-11/h2,4-5,9H,3,6-7H2,1H3
InChIKeyPOGXTFKMEYCMEK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.16
Rot. Bonds2

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

3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 110254289) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID110254289
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ncccn3)C2)n1
InChIInChI=1S/C11H13N5O/c1-8-14-10(17-15-8)9-3-6-16(7-9)11-12-4-2-5-13-11/h2,4-5,9H,3,6-7H2,1H3
InChIKeyPOGXTFKMEYCMEK-UHFFFAOYSA-N
XLogP1.16
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 110254289) is 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is Cc1noc(C2CCN(c3ncccn3)C2)n1.
What is the InChIKey of 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is POGXTFKMEYCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-14-10(17-15-8)9-3-6-16(7-9)11-12-4-2-5-13-11/h2,4-5,9H,3,6-7H2,1H3.
What are the key properties of 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 110254289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).