2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide

C11H12N4O2 — CID 142161933

IUPAC2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(-c2ccnc(N)c2)n1
InChIInChI=1S/C11H12N4O2/c1-2-13-10(16)8-6-17-11(15-8)7-3-4-14-9(12)5-7/h3-6H,2H2,1H3,(H2,12,14)(H,13,16)
InChIKeyBYGYFTULBMYVOT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide

2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 142161933) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
PubChem CID142161933
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(-c2ccnc(N)c2)n1
InChIInChI=1S/C11H12N4O2/c1-2-13-10(16)8-6-17-11(15-8)7-3-4-14-9(12)5-7/h3-6H,2H2,1H3,(H2,12,14)(H,13,16)
InChIKeyBYGYFTULBMYVOT-UHFFFAOYSA-N
XLogP1.07
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide (CID 142161933) is 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide is CCNC(=O)c1coc(-c2ccnc(N)c2)n1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is BYGYFTULBMYVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-13-10(16)8-6-17-11(15-8)7-3-4-14-9(12)5-7/h3-6H,2H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide?
2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142161933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).