2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide

C23H18N6O2 — CID 118162612

IUPAC2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1
InChIInChI=1S/C23H18N6O2/c1-14-20(31-15(2)25-14)22(30)26-19-10-6-9-17(11-19)21-27-23-24-12-18(13-29(23)28-21)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,26,30)
InChIKeyBPLLIYGGVMSUEU-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.32
Rot. Bonds4

About 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 118162612) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID118162612
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1
InChIInChI=1S/C23H18N6O2/c1-14-20(31-15(2)25-14)22(30)26-19-10-6-9-17(11-19)21-27-23-24-12-18(13-29(23)28-21)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,26,30)
InChIKeyBPLLIYGGVMSUEU-UHFFFAOYSA-N
XLogP4.32
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide 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 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide (CID 118162612) is 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1.
What is the InChIKey of 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is BPLLIYGGVMSUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-14-20(31-15(2)25-14)22(30)26-19-10-6-9-17(11-19)21-27-23-24-12-18(13-29(23)28-21)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,26,30).
What are the key properties of 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).