5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H16N2O5 — CID 107427031

IUPAC5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCOCC(C)NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H16N2O5/c1-3-16-5-6(2)11-9(13)8-4-7(10(14)15)12-17-8/h6,8H,3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyILYQQCCLMISHTR-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.24
Rot. Bonds6

About 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427031) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427031
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCOCC(C)NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H16N2O5/c1-3-16-5-6(2)11-9(13)8-4-7(10(14)15)12-17-8/h6,8H,3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyILYQQCCLMISHTR-UHFFFAOYSA-N
XLogP-0.24
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,4,4-Trifluorobutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105945786
5-(2,2,2-Trifluoroethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426650
5-(3,3,3-Trifluoropropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427183
5-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427219
5-(2,2-Difluoroethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427403
5-(4,4,4-Trifluorobutylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427404
5-(5,5,5-Trifluoropentylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427405
5-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114128896
5-(2,2,3,3-Tetrafluoropropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114169822
5-(Acetamidomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 19108615
5-[2-(Cyclopropylmethoxy)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105684256
5-[3-(Cyclopropylmethoxy)propylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105684277

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427031) is 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCOCC(C)NC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is ILYQQCCLMISHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-3-16-5-6(2)11-9(13)8-4-7(10(14)15)12-17-8/h6,8H,3-5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).