3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

C16H19N5O — CID 75459841

IUPAC3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC1c1nnc2ccccn12
InChIInChI=1S/C16H19N5O/c1-11-13(12(2)22-19-11)10-20-8-5-6-14(20)16-18-17-15-7-3-4-9-21(15)16/h3-4,7,9,14H,5-6,8,10H2,1-2H3
InChIKeyGTIKZORVWJFAQD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds3

About 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 75459841) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID75459841
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC1c1nnc2ccccn12
InChIInChI=1S/C16H19N5O/c1-11-13(12(2)22-19-11)10-20-8-5-6-14(20)16-18-17-15-7-3-4-9-21(15)16/h3-4,7,9,14H,5-6,8,10H2,1-2H3
InChIKeyGTIKZORVWJFAQD-UHFFFAOYSA-N
XLogP2.67
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-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 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 75459841) is 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCCC1c1nnc2ccccn12.
What is the InChIKey of 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is GTIKZORVWJFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-13(12(2)22-19-11)10-20-8-5-6-14(20)16-18-17-15-7-3-4-9-21(15)16/h3-4,7,9,14H,5-6,8,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 297.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 75459841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).