3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole

C10H11N5O — CID 63032867

IUPAC3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CCNC3)n2)nc1
InChIInChI=1S/C10H11N5O/c1-3-12-8(13-4-1)9-14-10(16-15-9)7-2-5-11-6-7/h1,3-4,7,11H,2,5-6H2
InChIKeyUMDQJWIANXKSGG-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.60
Rot. Bonds2

About 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole

3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 63032867) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID63032867
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CCNC3)n2)nc1
InChIInChI=1S/C10H11N5O/c1-3-12-8(13-4-1)9-14-10(16-15-9)7-2-5-11-6-7/h1,3-4,7,11H,2,5-6H2
InChIKeyUMDQJWIANXKSGG-UHFFFAOYSA-N
XLogP0.60
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 63032867) is 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole is c1cnc(-c2noc(C3CCNC3)n2)nc1.
What is the InChIKey of 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is UMDQJWIANXKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-3-12-8(13-4-1)9-14-10(16-15-9)7-2-5-11-6-7/h1,3-4,7,11H,2,5-6H2.
What are the key properties of 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 217.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63032867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).