[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C14H18ClN3O3 — CID 119493226

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(-c3ccco3)on2)C1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-15-10-4-2-6-17(9-10)14(18)11-8-13(20-16-11)12-5-3-7-19-12;/h3,5,7-8,10,15H,2,4,6,9H2,1H3;1H
InChIKeyHZUYWKQJRIZCJG-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.18
Rot. Bonds3

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119493226) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119493226
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(-c3ccco3)on2)C1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-15-10-4-2-6-17(9-10)14(18)11-8-13(20-16-11)12-5-3-7-19-12;/h3,5,7-8,10,15H,2,4,6,9H2,1H3;1H
InChIKeyHZUYWKQJRIZCJG-UHFFFAOYSA-N
XLogP2.18
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
N-(2-aminoethyl)-1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482070
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255659
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146878
(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490634
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487594
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 120818638
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119493226) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cc(-c3ccco3)on2)C1.Cl.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is HZUYWKQJRIZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-15-10-4-2-6-17(9-10)14(18)11-8-13(20-16-11)12-5-3-7-19-12;/h3,5,7-8,10,15H,2,4,6,9H2,1H3;1H.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119493226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).