N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride

C16H23Cl2N3O2 — CID 119499834

IUPACN-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCNCCNC(=O)CCc1ncc(-c2ccc(C)cc2)o1.Cl.Cl
InChIInChI=1S/C16H21N3O2.2ClH/c1-12-3-5-13(6-4-12)14-11-19-16(21-14)8-7-15(20)18-10-9-17-2;;/h3-6,11,17H,7-10H2,1-2H3,(H,18,20);2*1H
InChIKeyIKOGFICHDDDQOB-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride

N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (PubChem CID 119499834) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
PubChem CID119499834
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC NameN-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCNCCNC(=O)CCc1ncc(-c2ccc(C)cc2)o1.Cl.Cl
InChIInChI=1S/C16H21N3O2.2ClH/c1-12-3-5-13(6-4-12)14-11-19-16(21-14)8-7-15(20)18-10-9-17-2;;/h3-6,11,17H,7-10H2,1-2H3,(H,18,20);2*1H
InChIKeyIKOGFICHDDDQOB-UHFFFAOYSA-N
XLogP2.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.76
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-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 33428902
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (CID 119499834) is N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is CNCCNC(=O)CCc1ncc(-c2ccc(C)cc2)o1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The InChIKey is IKOGFICHDDDQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.2ClH/c1-12-3-5-13(6-4-12)14-11-19-16(21-14)8-7-15(20)18-10-9-17-2;;/h3-6,11,17H,7-10H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119499834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).