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

C17H23N3O2 — CID 156609886

IUPACN-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILES[H]/N=C(\NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N3O2/c1-9-14(10(2)22-20-9)15(21)19-16(18)17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-8H2,1-2H3,(H2,18,19,21)
InChIKeyGVOJYZBPJJDSMY-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.21
Rot. Bonds2

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

N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 156609886) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID156609886
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILES[H]/N=C(\NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N3O2/c1-9-14(10(2)22-20-9)15(21)19-16(18)17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-8H2,1-2H3,(H2,18,19,21)
InChIKeyGVOJYZBPJJDSMY-UHFFFAOYSA-N
XLogP3.21
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-adamantyl)butyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 2970212
N-(adamantanylethyl)(3,5-dimethylisoxazol-4-yl)carboxamide
CID 5020885
N-[1-adamantyl(amino)methylidene]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2739698
N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8712693
N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8934469
N-(adamantanylmethyl)(3,5-dimethylisoxazol-4-yl)carboxamide
CID 7750111
N-(adamantanylmethyl)(3-ethyl-5-methylisoxazol-4-yl)carboxamide
CID 9141993
N-adamantan-2-yl(3-ethyl-5-methylisoxazol-4-yl)carboxamide
CID 17191016
N-(adamantanylpropyl)(3,5-dimethylisoxazol-4-yl)carboxamide
CID 17191025
3-ethyl-5-methyl-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 17191026
N-(adamantanylbutyl)(3-ethyl-5-methylisoxazol-4-yl)carboxamide
CID 4091479
[1-Adamantyl(amino)methylidene]-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azanium
CID 7221850

Frequently Asked Questions

What is the IUPAC name of N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 156609886) is N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is [H]/N=C(\NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GVOJYZBPJJDSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-9-14(10(2)22-20-9)15(21)19-16(18)17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-8H2,1-2H3,(H2,18,19,21).
What are the key properties of N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(adamantane-1-carboximidoyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 156609886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).