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

C9H14N2O2 — CID 130679942

IUPACN-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1ccon1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)6-10-8(12)7-4-5-13-11-7/h4-5H,6H2,1-3H3,(H,10,12)
InChIKeyAABPVLORAISFIO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds2

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

N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 130679942) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID130679942
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1ccon1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)6-10-8(12)7-4-5-13-11-7/h4-5H,6H2,1-3H3,(H,10,12)
InChIKeyAABPVLORAISFIO-UHFFFAOYSA-N
XLogP1.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
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-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
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
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide (CID 130679942) is N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide is CC(C)(C)CNC(=O)c1ccon1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AABPVLORAISFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)6-10-8(12)7-4-5-13-11-7/h4-5H,6H2,1-3H3,(H,10,12).
What are the key properties of N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide?
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130679942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).