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

C24H45N3O2 — CID 3824160

IUPAC2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCNC(=O)c1coc(C(N)C(C)CC)n1
InChIInChI=1S/C24H45N3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23(28)21-19-29-24(27-21)22(25)20(3)5-2/h19-20,22H,4-18,25H2,1-3H3,(H,26,28)
InChIKeyJEDBDHDDZAMBBV-UHFFFAOYSA-N
MW407.64 g/mol
LogP6.54
Rot. Bonds18

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

2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide (PubChem CID 3824160) has the molecular formula C24H45N3O2 and a molecular weight of 407.64 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
PubChem CID3824160
Molecular FormulaC24H45N3O2
Molecular Weight407.64 g/mol
Exact Mass407.35
IUPAC Name2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCNC(=O)c1coc(C(N)C(C)CC)n1
InChIInChI=1S/C24H45N3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23(28)21-19-29-24(27-21)22(25)20(3)5-2/h19-20,22H,4-18,25H2,1-3H3,(H,26,28)
InChIKeyJEDBDHDDZAMBBV-UHFFFAOYSA-N
XLogP6.54
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 56.54
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-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
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-pentadecyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide (CID 3824160) is 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide is CCCCCCCCCCCCCCCNC(=O)c1coc(C(N)C(C)CC)n1.
What is the InChIKey of 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide?
The InChIKey is JEDBDHDDZAMBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23(28)21-19-29-24(27-21)22(25)20(3)5-2/h19-20,22H,4-18,25H2,1-3H3,(H,26,28).
What are the key properties of 2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide has a molecular weight of 407.64 g/mol, XLogP of 6.54, 18 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-pentadecyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3824160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).