2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide

C15H27N3O2 — CID 3868845

IUPAC2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCNC(=O)c1coc(CNC)n1
InChIInChI=1S/C15H27N3O2/c1-3-4-5-6-7-8-9-10-17-15(19)13-12-20-14(18-13)11-16-2/h12,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyKSRTYYMYVOCJSZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.87
Rot. Bonds11

About 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide

2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide (PubChem CID 3868845) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
PubChem CID3868845
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCNC(=O)c1coc(CNC)n1
InChIInChI=1S/C15H27N3O2/c1-3-4-5-6-7-8-9-10-17-15(19)13-12-20-14(18-13)11-16-2/h12,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyKSRTYYMYVOCJSZ-UHFFFAOYSA-N
XLogP2.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.87
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

2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380
2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 4242407
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide (CID 3868845) is 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide is CCCCCCCCCNC(=O)c1coc(CNC)n1.
What is the InChIKey of 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide?
The InChIKey is KSRTYYMYVOCJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-4-5-6-7-8-9-10-17-15(19)13-12-20-14(18-13)11-16-2/h12,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide?
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3868845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).