5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide

C14H25N3O3 — CID 167057725

IUPAC5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCCC(CCCCC)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C14H25N3O3/c1-3-5-7-9-11(10-8-6-4-2)15-13(18)12-16-14(19)20-17-12/h11H,3-10H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyWOWQHWKZWJLHAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.62
Rot. Bonds10

About 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide

5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 167057725) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID167057725
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCCC(CCCCC)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C14H25N3O3/c1-3-5-7-9-11(10-8-6-4-2)15-13(18)12-16-14(19)20-17-12/h11H,3-10H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyWOWQHWKZWJLHAJ-UHFFFAOYSA-N
XLogP2.62
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 167062705
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240
N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075518

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide (CID 167057725) is 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide is CCCCCC(CCCCC)NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WOWQHWKZWJLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-5-7-9-11(10-8-6-4-2)15-13(18)12-16-14(19)20-17-12/h11H,3-10H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide?
5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 167057725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).