1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide

C16H25N3O4 — CID 46943758

IUPAC1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
SMILESCOCCNC(=O)C1CCCN(C(=O)c2nc(C)oc2C)CC1
InChIInChI=1S/C16H25N3O4/c1-11-14(18-12(2)23-11)16(21)19-8-4-5-13(6-9-19)15(20)17-7-10-22-3/h13H,4-10H2,1-3H3,(H,17,20)
InChIKeyMUSJPNYFHIUFCL-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.30
Rot. Bonds5

About 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide

1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide (PubChem CID 46943758) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
PubChem CID46943758
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
SMILESCOCCNC(=O)C1CCCN(C(=O)c2nc(C)oc2C)CC1
InChIInChI=1S/C16H25N3O4/c1-11-14(18-12(2)23-11)16(21)19-8-4-5-13(6-9-19)15(20)17-7-10-22-3/h13H,4-10H2,1-3H3,(H,17,20)
InChIKeyMUSJPNYFHIUFCL-UHFFFAOYSA-N
XLogP1.30
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide?
The IUPAC name of 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide (CID 46943758) is 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide is COCCNC(=O)C1CCCN(C(=O)c2nc(C)oc2C)CC1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide?
The InChIKey is MUSJPNYFHIUFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11-14(18-12(2)23-11)16(21)19-8-4-5-13(6-9-19)15(20)17-7-10-22-3/h13H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide?
1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide is sourced from PubChem (CID 46943758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).