N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide

C8H5N5O2 — CID 79504211

IUPACN-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccon1
InChIInChI=1S/C8H5N5O2/c9-3-5-4-10-12-7(5)11-8(14)6-1-2-15-13-6/h1-2,4H,(H2,10,11,12,14)
InChIKeyONBKYUIHBXSUQI-UHFFFAOYSA-N
MW203.16 g/mol
LogP0.52
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 79504211) has the molecular formula C8H5N5O2 and a molecular weight of 203.16 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID79504211
Molecular FormulaC8H5N5O2
Molecular Weight203.16 g/mol
Exact Mass203.04
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccon1
InChIInChI=1S/C8H5N5O2/c9-3-5-4-10-12-7(5)11-8(14)6-1-2-15-13-6/h1-2,4H,(H2,10,11,12,14)
InChIKeyONBKYUIHBXSUQI-UHFFFAOYSA-N
XLogP0.52
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide (CID 79504211) is N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide is N#Cc1cn[nH]c1NC(=O)c1ccon1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ONBKYUIHBXSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2/c9-3-5-4-10-12-7(5)11-8(14)6-1-2-15-13-6/h1-2,4H,(H2,10,11,12,14).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 203.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79504211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).