N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H11N3O2 — CID 2741509

IUPACN-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H11N3O2/c1-8-12(9(2)18-16-8)13(17)15-11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H,15,17)
InChIKeyILOWXTHMAGRAQL-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2741509) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2741509
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H11N3O2/c1-8-12(9(2)18-16-8)13(17)15-11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H,15,17)
InChIKeyILOWXTHMAGRAQL-UHFFFAOYSA-N
XLogP2.42
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2741509) is N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ILOWXTHMAGRAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-12(9(2)18-16-8)13(17)15-11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2741509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).