3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide

C9H14N2O2 — CID 173339660

IUPAC3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)Cc1nocc1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)4-7-6(8(10)12)5-13-11-7/h5H,4H2,1-3H3,(H2,10,12)
InChIKeyFQKAOUAZUSWLON-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.36
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide

3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 173339660) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID173339660
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)Cc1nocc1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)4-7-6(8(10)12)5-13-11-7/h5H,4H2,1-3H3,(H2,10,12)
InChIKeyFQKAOUAZUSWLON-UHFFFAOYSA-N
XLogP1.36
TPSA69.12 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide (CID 173339660) is 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide is CC(C)(C)Cc1nocc1C(N)=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FQKAOUAZUSWLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)4-7-6(8(10)12)5-13-11-7/h5H,4H2,1-3H3,(H2,10,12).
What are the key properties of 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide?
3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 173339660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).