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

C9H15N3O2 — CID 83619403

IUPACN-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccon1
InChIInChI=1S/C9H15N3O2/c1-9(2,5-10)6-11-8(13)7-3-4-14-12-7/h3-4H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyBWEQUUKMVSMAQQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.39
Rot. Bonds4

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

N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 83619403) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID83619403
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccon1
InChIInChI=1S/C9H15N3O2/c1-9(2,5-10)6-11-8(13)7-3-4-14-12-7/h3-4H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyBWEQUUKMVSMAQQ-UHFFFAOYSA-N
XLogP0.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 135137386
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 71935205
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate
CID 175479004
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
CID 115909849

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide (CID 83619403) is N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide is CC(C)(CN)CNC(=O)c1ccon1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BWEQUUKMVSMAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,5-10)6-11-8(13)7-3-4-14-12-7/h3-4H,5-6,10H2,1-2H3,(H,11,13).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.39, 4 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)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83619403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).