N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide

C8H6N4O2 — CID 110693832

IUPACN-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncccn1)c1ccon1
InChIInChI=1S/C8H6N4O2/c13-7(6-2-5-14-12-6)11-8-9-3-1-4-10-8/h1-5H,(H,9,10,11,13)
InChIKeyXVELJAHUBOJIQO-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.72
Rot. Bonds2

About N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide

N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 110693832) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID110693832
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC NameN-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncccn1)c1ccon1
InChIInChI=1S/C8H6N4O2/c13-7(6-2-5-14-12-6)11-8-9-3-1-4-10-8/h1-5H,(H,9,10,11,13)
InChIKeyXVELJAHUBOJIQO-UHFFFAOYSA-N
XLogP0.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide (CID 110693832) is N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ncccn1)c1ccon1.
What is the InChIKey of N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XVELJAHUBOJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-7(6-2-5-14-12-6)11-8-9-3-1-4-10-8/h1-5H,(H,9,10,11,13).
What are the key properties of N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 190.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110693832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).