4-tert-butyl-1,2-oxazole-5-carboxamide

C8H12N2O2 — CID 162696866

IUPAC4-tert-butyl-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)c1cnoc1C(N)=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-10-12-6(5)7(9)11/h4H,1-3H3,(H2,9,11)
InChIKeyIJEPRSOLHJINIK-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.07
Rot. Bonds1

About 4-tert-butyl-1,2-oxazole-5-carboxamide

4-tert-butyl-1,2-oxazole-5-carboxamide (PubChem CID 162696866) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-tert-butyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-1,2-oxazole-5-carboxamide
PubChem CID162696866
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-tert-butyl-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)c1cnoc1C(N)=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-10-12-6(5)7(9)11/h4H,1-3H3,(H2,9,11)
InChIKeyIJEPRSOLHJINIK-UHFFFAOYSA-N
XLogP1.07
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-1,2-oxazole-5-carboxamide (CID 162696866) is 4-tert-butyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-1,2-oxazole-5-carboxamide is CC(C)(C)c1cnoc1C(N)=O.
What is the InChIKey of 4-tert-butyl-1,2-oxazole-5-carboxamide?
The InChIKey is IJEPRSOLHJINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)5-4-10-12-6(5)7(9)11/h4H,1-3H3,(H2,9,11).
What are the key properties of 4-tert-butyl-1,2-oxazole-5-carboxamide?
4-tert-butyl-1,2-oxazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162696866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).