5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole

C13H19N5O — CID 128906229

IUPAC5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cnc(C(C)N2CCCC(n3ccnn3)C2)o1
InChIInChI=1S/C13H19N5O/c1-10-8-14-13(19-10)11(2)17-6-3-4-12(9-17)18-7-5-15-16-18/h5,7-8,11-12H,3-4,6,9H2,1-2H3
InChIKeyRGQKYYMNOYIGTR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole

5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole (PubChem CID 128906229) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole
PubChem CID128906229
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cnc(C(C)N2CCCC(n3ccnn3)C2)o1
InChIInChI=1S/C13H19N5O/c1-10-8-14-13(19-10)11(2)17-6-3-4-12(9-17)18-7-5-15-16-18/h5,7-8,11-12H,3-4,6,9H2,1-2H3
InChIKeyRGQKYYMNOYIGTR-UHFFFAOYSA-N
XLogP1.97
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole 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 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole (CID 128906229) is 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole is Cc1cnc(C(C)N2CCCC(n3ccnn3)C2)o1.
What is the InChIKey of 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is RGQKYYMNOYIGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-8-14-13(19-10)11(2)17-6-3-4-12(9-17)18-7-5-15-16-18/h5,7-8,11-12H,3-4,6,9H2,1-2H3.
What are the key properties of 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole?
5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 261.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[3-(triazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 128906229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).