N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride

C14H19Cl2N3O2 — CID 119502119

IUPACN-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCNCCNC(=O)c1ncoc1-c1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C14H17N3O2.2ClH/c1-10-3-5-11(6-4-10)13-12(17-9-19-13)14(18)16-8-7-15-2;;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18);2*1H
InChIKeyWZRBSDNIGVGXBR-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride

N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride (PubChem CID 119502119) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
PubChem CID119502119
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCNCCNC(=O)c1ncoc1-c1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C14H17N3O2.2ClH/c1-10-3-5-11(6-4-10)13-12(17-9-19-13)14(18)16-8-7-15-2;;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18);2*1H
InChIKeyWZRBSDNIGVGXBR-UHFFFAOYSA-N
XLogP2.44
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463100
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 120651301
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119232828
N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 97006110
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768719

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride (CID 119502119) is N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride is CNCCNC(=O)c1ncoc1-c1ccc(C)cc1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The InChIKey is WZRBSDNIGVGXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.2ClH/c1-10-3-5-11(6-4-10)13-12(17-9-19-13)14(18)16-8-7-15-2;;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride has a molecular weight of 332.23 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119502119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).