N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide

C10H16IN3O2 — CID 135137386

IUPACN-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CN)CNC(=O)c1cc(CI)on1
InChIInChI=1S/C10H16IN3O2/c1-10(2,5-12)6-13-9(15)8-3-7(4-11)16-14-8/h3H,4-6,12H2,1-2H3,(H,13,15)
InChIKeyABFRYESDMXLNNN-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.32
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide (PubChem CID 135137386) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
PubChem CID135137386
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CN)CNC(=O)c1cc(CI)on1
InChIInChI=1S/C10H16IN3O2/c1-10(2,5-12)6-13-9(15)8-3-7(4-11)16-14-8/h3H,4-6,12H2,1-2H3,(H,13,15)
InChIKeyABFRYESDMXLNNN-UHFFFAOYSA-N
XLogP1.32
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methoxypropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 135137308
N-(2-aminopropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 135137381
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
N-(5-bromo-2,2-dimethylpentyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114149721
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-(3,3-diethyl-1,1,2-trimethylaziridin-1-ium-2-yl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 163697140
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009032

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide (CID 135137386) is N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide is CC(C)(CN)CNC(=O)c1cc(CI)on1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ABFRYESDMXLNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-10(2,5-12)6-13-9(15)8-3-7(4-11)16-14-8/h3H,4-6,12H2,1-2H3,(H,13,15).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 337.16 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135137386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).