3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole

C13H15N3O — CID 68838963

IUPAC3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
SMILESCc1ncccc1-c1cc(C2CCCN2)on1
InChIInChI=1S/C13H15N3O/c1-9-10(4-2-6-14-9)12-8-13(17-16-12)11-5-3-7-15-11/h2,4,6,8,11,15H,3,5,7H2,1H3
InChIKeyGQGMSUXZVJHDOY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.47
Rot. Bonds2

About 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole

3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole (PubChem CID 68838963) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
PubChem CID68838963
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
SMILESCc1ncccc1-c1cc(C2CCCN2)on1
InChIInChI=1S/C13H15N3O/c1-9-10(4-2-6-14-9)12-8-13(17-16-12)11-5-3-7-15-11/h2,4,6,8,11,15H,3,5,7H2,1H3
InChIKeyGQGMSUXZVJHDOY-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole?
The IUPAC name of 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole (CID 68838963) is 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole is Cc1ncccc1-c1cc(C2CCCN2)on1.
What is the InChIKey of 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole?
The InChIKey is GQGMSUXZVJHDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-10(4-2-6-14-9)12-8-13(17-16-12)11-5-3-7-15-11/h2,4,6,8,11,15H,3,5,7H2,1H3.
What are the key properties of 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole?
3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole has a molecular weight of 229.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole is sourced from PubChem (CID 68838963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).