N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide

C8H11N3O3 — CID 60966955

IUPACN-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1COCCO1
InChIInChI=1S/C8H11N3O3/c12-7(6-5-13-3-4-14-6)11-8-9-1-2-10-8/h1-2,6H,3-5H2,(H2,9,10,11,12)
InChIKeyRPFUBQPDKTYCKE-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.24
Rot. Bonds2

About N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide

N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide (PubChem CID 60966955) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide
PubChem CID60966955
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1COCCO1
InChIInChI=1S/C8H11N3O3/c12-7(6-5-13-3-4-14-6)11-8-9-1-2-10-8/h1-2,6H,3-5H2,(H2,9,10,11,12)
InChIKeyRPFUBQPDKTYCKE-UHFFFAOYSA-N
XLogP-0.24
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide (CID 60966955) is N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide is O=C(Nc1ncc[nH]1)C1COCCO1.
What is the InChIKey of N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is RPFUBQPDKTYCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7(6-5-13-3-4-14-6)11-8-9-1-2-10-8/h1-2,6H,3-5H2,(H2,9,10,11,12).
What are the key properties of N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide?
N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 60966955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).