5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C13H20N2O4 — CID 107427276

IUPAC5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC1CCC(NC(=O)C2CC(C(=O)O)=NO2)C1C
InChIInChI=1S/C13H20N2O4/c1-3-8-4-5-9(7(8)2)14-12(16)11-6-10(13(17)18)15-19-11/h7-9,11H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQLBPFZFZZYQHBA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.16
Rot. Bonds4

About 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427276) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427276
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC1CCC(NC(=O)C2CC(C(=O)O)=NO2)C1C
InChIInChI=1S/C13H20N2O4/c1-3-8-4-5-9(7(8)2)14-12(16)11-6-10(13(17)18)15-19-11/h7-9,11H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQLBPFZFZZYQHBA-UHFFFAOYSA-N
XLogP1.16
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427276) is 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCC1CCC(NC(=O)C2CC(C(=O)O)=NO2)C1C.
What is the InChIKey of 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is QLBPFZFZZYQHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-8-4-5-9(7(8)2)14-12(16)11-6-10(13(17)18)15-19-11/h7-9,11H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).