N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

C13H17N3O2 — CID 79676947

IUPACN-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C13H17N3O2/c1-9-12(18-8-15-9)13(17)16-11(7-14)10-5-3-2-4-6-10/h8,10-11H,2-6H2,1H3,(H,16,17)
InChIKeyOZUAEJRVANDWGR-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.19
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 79676947) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID79676947
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C13H17N3O2/c1-9-12(18-8-15-9)13(17)16-11(7-14)10-5-3-2-4-6-10/h8,10-11H,2-6H2,1H3,(H,16,17)
InChIKeyOZUAEJRVANDWGR-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 79676947) is N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is OZUAEJRVANDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-12(18-8-15-9)13(17)16-11(7-14)10-5-3-2-4-6-10/h8,10-11H,2-6H2,1H3,(H,16,17).
What are the key properties of N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79676947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).