5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid

C10H14N2O3 — CID 115093875

IUPAC5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCN1CCC(c2cc(C(=O)O)no2)C1
InChIInChI=1S/C10H14N2O3/c1-2-12-4-3-7(6-12)9-5-8(10(13)14)11-15-9/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyNZJQHUHXSXWTPO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.18
Rot. Bonds3

About 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid

5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 115093875) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID115093875
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCN1CCC(c2cc(C(=O)O)no2)C1
InChIInChI=1S/C10H14N2O3/c1-2-12-4-3-7(6-12)9-5-8(10(13)14)11-15-9/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyNZJQHUHXSXWTPO-UHFFFAOYSA-N
XLogP1.18
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid
CID 146220605
5-(1-ethylpiperidin-4-yl)-1,2-oxazol-3-amine
CID 115093893
5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092279
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081722
ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
CID 146220661

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid (CID 115093875) is 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid is CCN1CCC(c2cc(C(=O)O)no2)C1.
What is the InChIKey of 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NZJQHUHXSXWTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-12-4-3-7(6-12)9-5-8(10(13)14)11-15-9/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115093875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).