3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid

C12H16N2O5 — CID 107370092

IUPAC3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC1CCCN(C(=O)c2cc(C(=O)O)on2)C1
InChIInChI=1S/C12H16N2O5/c1-18-7-8-3-2-4-14(6-8)11(15)9-5-10(12(16)17)19-13-9/h5,8H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyDRHYCKVVANIPAR-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.87
Rot. Bonds4

About 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid

3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107370092) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107370092
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC1CCCN(C(=O)c2cc(C(=O)O)on2)C1
InChIInChI=1S/C12H16N2O5/c1-18-7-8-3-2-4-14(6-8)11(15)9-5-10(12(16)17)19-13-9/h5,8H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyDRHYCKVVANIPAR-UHFFFAOYSA-N
XLogP0.87
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368970
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
3-(4-acetyl-1,4-diazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369448
[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124727523
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 25304662
3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369765
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid (CID 107370092) is 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid is COCC1CCCN(C(=O)c2cc(C(=O)O)on2)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is DRHYCKVVANIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-7-8-3-2-4-14(6-8)11(15)9-5-10(12(16)17)19-13-9/h5,8H,2-4,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid?
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107370092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).