3-ethyl-1,2-oxazole-5-carboxamide

C6H8N2O2 — CID 22456645

IUPAC3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(N)=O)on1
InChIInChI=1S/C6H8N2O2/c1-2-4-3-5(6(7)9)10-8-4/h3H,2H2,1H3,(H2,7,9)
InChIKeyJMVQTPHKJZWESY-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.34
Rot. Bonds2

About 3-ethyl-1,2-oxazole-5-carboxamide

3-ethyl-1,2-oxazole-5-carboxamide (PubChem CID 22456645) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-ethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1,2-oxazole-5-carboxamide
PubChem CID22456645
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(N)=O)on1
InChIInChI=1S/C6H8N2O2/c1-2-4-3-5(6(7)9)10-8-4/h3H,2H2,1H3,(H2,7,9)
InChIKeyJMVQTPHKJZWESY-UHFFFAOYSA-N
XLogP0.34
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-1,2-oxazole-5-carboxamide (CID 22456645) is 3-ethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1,2-oxazole-5-carboxamide is CCc1cc(C(N)=O)on1.
What is the InChIKey of 3-ethyl-1,2-oxazole-5-carboxamide?
The InChIKey is JMVQTPHKJZWESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-4-3-5(6(7)9)10-8-4/h3H,2H2,1H3,(H2,7,9).
What are the key properties of 3-ethyl-1,2-oxazole-5-carboxamide?
3-ethyl-1,2-oxazole-5-carboxamide has a molecular weight of 140.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 22456645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).