(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride

C15H20ClN3O3 — CID 120818638

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(-c3ccco3)on2)CCC1N.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-15(2)9-18(6-5-13(15)16)14(19)10-8-12(21-17-10)11-4-3-7-20-11;/h3-4,7-8,13H,5-6,9,16H2,1-2H3;1H
InChIKeyAPKKECLSIMLTRE-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.56
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride (PubChem CID 120818638) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
PubChem CID120818638
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(-c3ccco3)on2)CCC1N.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-15(2)9-18(6-5-13(15)16)14(19)10-8-12(21-17-10)11-4-3-7-20-11;/h3-4,7-8,13H,5-6,9,16H2,1-2H3;1H
InChIKeyAPKKECLSIMLTRE-UHFFFAOYSA-N
XLogP2.56
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90537302
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120815986
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 99878776

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride (CID 120818638) is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride is CC1(C)CN(C(=O)c2cc(-c3ccco3)on2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride?
The InChIKey is APKKECLSIMLTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-15(2)9-18(6-5-13(15)16)14(19)10-8-12(21-17-10)11-4-3-7-20-11;/h3-4,7-8,13H,5-6,9,16H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120818638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).