N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide

C11H8N6O2 — CID 122300244

IUPACN-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnc(-n2cccn2)nc1)c1ccno1
InChIInChI=1S/C11H8N6O2/c18-10(9-2-4-15-19-9)16-8-6-12-11(13-7-8)17-5-1-3-14-17/h1-7H,(H,16,18)
InChIKeyRYZMBHQYIFOTRW-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.90
Rot. Bonds3

About N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide

N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 122300244) has the molecular formula C11H8N6O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID122300244
Molecular FormulaC11H8N6O2
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC NameN-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnc(-n2cccn2)nc1)c1ccno1
InChIInChI=1S/C11H8N6O2/c18-10(9-2-4-15-19-9)16-8-6-12-11(13-7-8)17-5-1-3-14-17/h1-7H,(H,16,18)
InChIKeyRYZMBHQYIFOTRW-UHFFFAOYSA-N
XLogP0.90
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide (CID 122300244) is N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide is O=C(Nc1cnc(-n2cccn2)nc1)c1ccno1.
What is the InChIKey of N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is RYZMBHQYIFOTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2/c18-10(9-2-4-15-19-9)16-8-6-12-11(13-7-8)17-5-1-3-14-17/h1-7H,(H,16,18).
What are the key properties of N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122300244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).