2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide

C17H16N6O3 — CID 56877044

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCc3cc(-c4ccco4)on3)nc2n1
InChIInChI=1S/C17H16N6O3/c1-10-6-11(2)23-17(19-10)20-15(21-23)8-16(24)18-9-12-7-14(26-22-12)13-4-3-5-25-13/h3-7H,8-9H2,1-2H3,(H,18,24)
InChIKeyVHTHHANMMKSDCG-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.85
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide (PubChem CID 56877044) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
PubChem CID56877044
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCc3cc(-c4ccco4)on3)nc2n1
InChIInChI=1S/C17H16N6O3/c1-10-6-11(2)23-17(19-10)20-15(21-23)8-16(24)18-9-12-7-14(26-22-12)13-4-3-5-25-13/h3-7H,8-9H2,1-2H3,(H,18,24)
InChIKeyVHTHHANMMKSDCG-UHFFFAOYSA-N
XLogP1.85
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide 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-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide (CID 56877044) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide is Cc1cc(C)n2nc(CC(=O)NCc3cc(-c4ccco4)on3)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
The InChIKey is VHTHHANMMKSDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-10-6-11(2)23-17(19-10)20-15(21-23)8-16(24)18-9-12-7-14(26-22-12)13-4-3-5-25-13/h3-7H,8-9H2,1-2H3,(H,18,24).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide is sourced from PubChem (CID 56877044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).