N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride

C19H25ClN4O3 — CID 120815735

IUPACN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC1(C)CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CCC1N.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-19(2)12-23(9-8-16(19)20)17(24)11-21-18(25)14-10-15(26-22-14)13-6-4-3-5-7-13;/h3-7,10,16H,8-9,11-12,20H2,1-2H3,(H,21,25);1H
InChIKeyMQDHAXPTCHFYJE-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride

N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 120815735) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID120815735
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC NameN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC1(C)CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CCC1N.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-19(2)12-23(9-8-16(19)20)17(24)11-21-18(25)14-10-15(26-22-14)13-6-4-3-5-7-13;/h3-7,10,16H,8-9,11-12,20H2,1-2H3,(H,21,25);1H
InChIKeyMQDHAXPTCHFYJE-UHFFFAOYSA-N
XLogP2.08
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120805537
N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86902989
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991
N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56572319
N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99790807
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86968707
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 120818638
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86885892
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 120815735) is N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride is CC1(C)CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CCC1N.Cl.
What is the InChIKey of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is MQDHAXPTCHFYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c1-19(2)12-23(9-8-16(19)20)17(24)11-21-18(25)14-10-15(26-22-14)13-6-4-3-5-7-13;/h3-7,10,16H,8-9,11-12,20H2,1-2H3,(H,21,25);1H.
What are the key properties of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120815735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).