5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide

C9H14N2O2 — CID 130964727

IUPAC5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N(C)C
InChIInChI=1S/C9H14N2O2/c1-5-7-8(6(2)10-13-7)9(12)11(3)4/h5H2,1-4H3
InChIKeyOIIUCRIGARNGGP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.25
Rot. Bonds2

About 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide

5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 130964727) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID130964727
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N(C)C
InChIInChI=1S/C9H14N2O2/c1-5-7-8(6(2)10-13-7)9(12)11(3)4/h5H2,1-4H3
InChIKeyOIIUCRIGARNGGP-UHFFFAOYSA-N
XLogP1.25
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide (CID 130964727) is 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)N(C)C.
What is the InChIKey of 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is OIIUCRIGARNGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-7-8(6(2)10-13-7)9(12)11(3)4/h5H2,1-4H3.
What are the key properties of 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide?
5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 130964727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).