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

C8H12N2O4 — CID 107426528

IUPAC5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCCNC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C8H12N2O4/c1-2-3-9-7(11)6-4-5(8(12)13)10-14-6/h6H,2-4H2,1H3,(H,9,11)(H,12,13)
InChIKeyMRQLLVGGJYJIGE-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.26
Rot. Bonds4

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

5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426528) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426528
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCCNC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C8H12N2O4/c1-2-3-9-7(11)6-4-5(8(12)13)10-14-6/h6H,2-4H2,1H3,(H,9,11)(H,12,13)
InChIKeyMRQLLVGGJYJIGE-UHFFFAOYSA-N
XLogP-0.26
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-((((Tert-butoxy)carbonyl)amino)methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 75481488
5-(4,4,4-Trifluorobutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105945786
5-[2-(Trifluoromethylsulfanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 106432288
5-(2,2,2-Trifluoroethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426650
5-[Methyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426804
5-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427009
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-[Methyl(3,3,3-trifluoropropyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427294
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

Frequently Asked Questions

What is the IUPAC name of 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426528) is 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCCNC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is MRQLLVGGJYJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-3-9-7(11)6-4-5(8(12)13)10-14-6/h6H,2-4H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).