1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one

C15H17N5O2 — CID 159323255

IUPAC1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
SMILESCC(=O)Cc1cc2nc(C(C)C)nn2c(-c2cnc(C)o2)n1
InChIInChI=1S/C15H17N5O2/c1-8(2)14-18-13-6-11(5-9(3)21)17-15(20(13)19-14)12-7-16-10(4)22-12/h6-8H,5H2,1-4H3
InChIKeyLEAMXLKYLFXSIS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.34
Rot. Bonds4

About 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one

1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one (PubChem CID 159323255) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
PubChem CID159323255
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
SMILESCC(=O)Cc1cc2nc(C(C)C)nn2c(-c2cnc(C)o2)n1
InChIInChI=1S/C15H17N5O2/c1-8(2)14-18-13-6-11(5-9(3)21)17-15(20(13)19-14)12-7-16-10(4)22-12/h6-8H,5H2,1-4H3
InChIKeyLEAMXLKYLFXSIS-UHFFFAOYSA-N
XLogP2.34
TPSA86.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
The IUPAC name of 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one (CID 159323255) is 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
The canonical SMILES for 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one is CC(=O)Cc1cc2nc(C(C)C)nn2c(-c2cnc(C)o2)n1.
What is the InChIKey of 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
The InChIKey is LEAMXLKYLFXSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8(2)14-18-13-6-11(5-9(3)21)17-15(20(13)19-14)12-7-16-10(4)22-12/h6-8H,5H2,1-4H3.
What are the key properties of 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-1,3-oxazol-5-yl)-2-propan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one is sourced from PubChem (CID 159323255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).