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

C12H21N3O3 — CID 167062705

IUPACN-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCCCCC(C)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-3-4-5-6-7-8-9(2)13-11(16)10-14-12(17)18-15-10/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyDTKQJWWWSJSNGG-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.84
Rot. Bonds8

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

N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 167062705) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID167062705
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCCCCC(C)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-3-4-5-6-7-8-9(2)13-11(16)10-14-12(17)18-15-10/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyDTKQJWWWSJSNGG-UHFFFAOYSA-N
XLogP1.84
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.84
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
5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 167057725
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 N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 167062705) is N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CCCCCCCC(C)NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DTKQJWWWSJSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-4-5-6-7-8-9(2)13-11(16)10-14-12(17)18-15-10/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 167062705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).