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

C12H19N3O4 — CID 107426914

IUPAC5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN1CCCC(NC(=O)C2CC(C(=O)O)=NO2)C1
InChIInChI=1S/C12H19N3O4/c1-2-15-5-3-4-8(7-15)13-11(16)10-6-9(12(17)18)14-19-10/h8,10H,2-7H2,1H3,(H,13,16)(H,17,18)
InChIKeyLAKMJAXOWLKXMX-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.18
Rot. Bonds4

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

5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426914) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426914
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN1CCCC(NC(=O)C2CC(C(=O)O)=NO2)C1
InChIInChI=1S/C12H19N3O4/c1-2-15-5-3-4-8(7-15)13-11(16)10-6-9(12(17)18)14-19-10/h8,10H,2-7H2,1H3,(H,13,16)(H,17,18)
InChIKeyLAKMJAXOWLKXMX-UHFFFAOYSA-N
XLogP-0.18
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
5-[(3-ethyl-2-methylcyclopentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427276
4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785
3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119862380
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
1-ethyl-3-(1-ethylpiperidin-3-yl)-1-methylurea
CID 115604545
N-(1-ethylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605280

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426914) is 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCN1CCCC(NC(=O)C2CC(C(=O)O)=NO2)C1.
What is the InChIKey of 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is LAKMJAXOWLKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-15-5-3-4-8(7-15)13-11(16)10-6-9(12(17)18)14-19-10/h8,10H,2-7H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).