N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide

C11H8N4O2 — CID 79502806

IUPACN-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C11H8N4O2/c1-7-10(17-6-14-7)11(16)15-9-3-2-8(4-12)5-13-9/h2-3,5-6H,1H3,(H,13,15,16)
InChIKeyZLVHMQPKXMDLNE-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.50
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 79502806) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID79502806
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC NameN-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C11H8N4O2/c1-7-10(17-6-14-7)11(16)15-9-3-2-8(4-12)5-13-9/h2-3,5-6H,1H3,(H,13,15,16)
InChIKeyZLVHMQPKXMDLNE-UHFFFAOYSA-N
XLogP1.50
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
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N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
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3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79487939
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
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N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
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CID 62354122

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 79502806) is N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZLVHMQPKXMDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-7-10(17-6-14-7)11(16)15-9-3-2-8(4-12)5-13-9/h2-3,5-6H,1H3,(H,13,15,16).
What are the key properties of N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 228.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79502806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).