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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Related Compounds

6-bromo-N-(5-methyl-3-isoxazolyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1257160
US9663526, Example 17
CID 118878354
N-(5-methyl-3-isoxazolyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821892
1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 135248246
[(3aS,6aR)-2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,2-oxazol-5-yl)methanone
CID 155454994
[(3aR,6aS)-3a,6a-dimethyl-2-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,2-oxazol-5-yl)methanone
CID 155454999
N-(2,4-dichloropyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 156341035
N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 156341042
N-(5-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1,2-oxazole-5-carboxamide
CID 156341043
[(3aS,6aR)-3a-methyl-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1,2-oxazol-5-yl)methanone
CID 164735788
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4774999
N-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 64182350

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).