N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C7H12N2O2 — CID 123170331

IUPACN-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)C1COC(C)=N1
InChIInChI=1S/C7H12N2O2/c1-3-8-7(10)6-4-11-5(2)9-6/h6H,3-4H2,1-2H3,(H,8,10)
InChIKeyOQOAIQUFAKXWPD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds2

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

N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 123170331) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID123170331
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)C1COC(C)=N1
InChIInChI=1S/C7H12N2O2/c1-3-8-7(10)6-4-11-5(2)9-6/h6H,3-4H2,1-2H3,(H,8,10)
InChIKeyOQOAIQUFAKXWPD-UHFFFAOYSA-N
XLogP-0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 123170331) is N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide is CCNC(=O)C1COC(C)=N1.
What is the InChIKey of N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is OQOAIQUFAKXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-8-7(10)6-4-11-5(2)9-6/h6H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123170331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).