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

C13H14N6O2 — CID 91813786

IUPAC5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2cnc3ncnn3c2)no1
InChIInChI=1S/C13H14N6O2/c1-9-5-11(18-21-9)12(20)14-4-2-3-10-6-15-13-16-8-17-19(13)7-10/h5-8H,2-4H2,1H3,(H,14,20)
InChIKeyGBRVQYAUCHHMNB-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.78
Rot. Bonds5

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

5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 91813786) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID91813786
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2cnc3ncnn3c2)no1
InChIInChI=1S/C13H14N6O2/c1-9-5-11(18-21-9)12(20)14-4-2-3-10-6-15-13-16-8-17-19(13)7-10/h5-8H,2-4H2,1H3,(H,14,20)
InChIKeyGBRVQYAUCHHMNB-UHFFFAOYSA-N
XLogP0.78
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide (CID 91813786) is 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCc2cnc3ncnn3c2)no1.
What is the InChIKey of 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GBRVQYAUCHHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-9-5-11(18-21-9)12(20)14-4-2-3-10-6-15-13-16-8-17-19(13)7-10/h5-8H,2-4H2,1H3,(H,14,20).
What are the key properties of 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91813786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).