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

C18H33N3O2 — CID 3866894

IUPAC2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCNC(=O)c1coc(C(N)C(C)CC)n1
InChIInChI=1S/C18H33N3O2/c1-4-6-7-8-9-10-11-12-20-17(22)15-13-23-18(21-15)16(19)14(3)5-2/h13-14,16H,4-12,19H2,1-3H3,(H,20,22)
InChIKeyISXUJSZQVSPXNF-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.20
Rot. Bonds12

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

2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide (PubChem CID 3866894) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
PubChem CID3866894
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCNC(=O)c1coc(C(N)C(C)CC)n1
InChIInChI=1S/C18H33N3O2/c1-4-6-7-8-9-10-11-12-20-17(22)15-13-23-18(21-15)16(19)14(3)5-2/h13-14,16H,4-12,19H2,1-3H3,(H,20,22)
InChIKeyISXUJSZQVSPXNF-UHFFFAOYSA-N
XLogP4.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.20
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-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3800262
2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
CID 3844290
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide (CID 3866894) is 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide is CCCCCCCCCNC(=O)c1coc(C(N)C(C)CC)n1.
What is the InChIKey of 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide?
The InChIKey is ISXUJSZQVSPXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-6-7-8-9-10-11-12-20-17(22)15-13-23-18(21-15)16(19)14(3)5-2/h13-14,16H,4-12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 4.20, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3866894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).