2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole

C8H5N5O — CID 175691572

IUPAC2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole
SMILESc1coc(-c2cc3ncnn3cn2)n1
InChIInChI=1S/C8H5N5O/c1-2-14-8(9-1)6-3-7-10-4-12-13(7)5-11-6/h1-5H
InChIKeyNJZUEIXZGZXRIY-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.78
Rot. Bonds1

About 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole

2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole (PubChem CID 175691572) has the molecular formula C8H5N5O and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole
PubChem CID175691572
Molecular FormulaC8H5N5O
Molecular Weight187.16 g/mol
Exact Mass187.05
IUPAC Name2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole
SMILESc1coc(-c2cc3ncnn3cn2)n1
InChIInChI=1S/C8H5N5O/c1-2-14-8(9-1)6-3-7-10-4-12-13(7)5-11-6/h1-5H
InChIKeyNJZUEIXZGZXRIY-UHFFFAOYSA-N
XLogP0.78
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole?
The IUPAC name of 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole (CID 175691572) is 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole is c1coc(-c2cc3ncnn3cn2)n1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole?
The InChIKey is NJZUEIXZGZXRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O/c1-2-14-8(9-1)6-3-7-10-4-12-13(7)5-11-6/h1-5H.
What are the key properties of 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole?
2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole has a molecular weight of 187.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,3-oxazole is sourced from PubChem (CID 175691572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).