N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride

C15H20Cl2N4O2 — CID 120556285

IUPACN-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1cc(-c2ccncc2)on1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-10-9-17-7-4-12(10)18-15(20)13-8-14(21-19-13)11-2-5-16-6-3-11;;/h2-3,5-6,8,10,12,17H,4,7,9H2,1H3,(H,18,20);2*1H
InChIKeyVDOZTURHUOJWBI-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.31
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride

N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride (PubChem CID 120556285) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
PubChem CID120556285
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC NameN-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1cc(-c2ccncc2)on1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-10-9-17-7-4-12(10)18-15(20)13-8-14(21-19-13)11-2-5-16-6-3-11;;/h2-3,5-6,8,10,12,17H,4,7,9H2,1H3,(H,18,20);2*1H
InChIKeyVDOZTURHUOJWBI-UHFFFAOYSA-N
XLogP2.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 120555492
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120554755
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120557885
5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 120554197
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090
2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride (CID 120556285) is N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride is CC1CNCCC1NC(=O)c1cc(-c2ccncc2)on1.Cl.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The InChIKey is VDOZTURHUOJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c1-10-9-17-7-4-12(10)18-15(20)13-8-14(21-19-13)11-2-5-16-6-3-11;;/h2-3,5-6,8,10,12,17H,4,7,9H2,1H3,(H,18,20);2*1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120556285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).