5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid

C10H8N4O3 — CID 96599268

IUPAC5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid
SMILESCc1cnc(-c2nc(C(=O)O)n(C)c2C#N)o1
InChIInChI=1S/C10H8N4O3/c1-5-4-12-9(17-5)7-6(3-11)14(2)8(13-7)10(15)16/h4H,1-2H3,(H,15,16)
InChIKeyPQEHCXOHOISMHZ-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.95
Rot. Bonds2

About 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid

5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid (PubChem CID 96599268) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid
PubChem CID96599268
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid
SMILESCc1cnc(-c2nc(C(=O)O)n(C)c2C#N)o1
InChIInChI=1S/C10H8N4O3/c1-5-4-12-9(17-5)7-6(3-11)14(2)8(13-7)10(15)16/h4H,1-2H3,(H,15,16)
InChIKeyPQEHCXOHOISMHZ-UHFFFAOYSA-N
XLogP0.95
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid?
The IUPAC name of 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid (CID 96599268) is 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid.
What is the SMILES notation for 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid?
The canonical SMILES for 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid is Cc1cnc(-c2nc(C(=O)O)n(C)c2C#N)o1.
What is the InChIKey of 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid?
The InChIKey is PQEHCXOHOISMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c1-5-4-12-9(17-5)7-6(3-11)14(2)8(13-7)10(15)16/h4H,1-2H3,(H,15,16).
What are the key properties of 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid?
5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-methyl-4-(5-methyl-1,3-oxazol-2-yl)imidazole-2-carboxylic acid is sourced from PubChem (CID 96599268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).