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

C13H19N5O — CID 47283646

IUPAC3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2nnc(C)n2C)no1
InChIInChI=1S/C13H19N5O/c1-9-7-11(16-19-9)12-5-4-6-18(12)8-13-15-14-10(2)17(13)3/h7,12H,4-6,8H2,1-3H3
InChIKeyCFZZKNOHYOPSDL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.76
Rot. Bonds3

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

3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 47283646) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
PubChem CID47283646
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2nnc(C)n2C)no1
InChIInChI=1S/C13H19N5O/c1-9-7-11(16-19-9)12-5-4-6-18(12)8-13-15-14-10(2)17(13)3/h7,12H,4-6,8H2,1-3H3
InChIKeyCFZZKNOHYOPSDL-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-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-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole (CID 47283646) is 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole is Cc1cc(C2CCCN2Cc2nnc(C)n2C)no1.
What is the InChIKey of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is CFZZKNOHYOPSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-7-11(16-19-9)12-5-4-6-18(12)8-13-15-14-10(2)17(13)3/h7,12H,4-6,8H2,1-3H3.
What are the key properties of 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 261.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 47283646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).