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

C17H25Cl2N3O2 — CID 119625668

IUPACN-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(C)(C)N)o2)cc1.Cl.Cl
InChIInChI=1S/C17H23N3O2.2ClH/c1-12-4-6-13(7-5-12)14-10-19-16(22-14)9-8-15(21)20-11-17(2,3)18;;/h4-7,10H,8-9,11,18H2,1-3H3,(H,20,21);2*1H
InChIKeyFZHYIFUPHJQDKM-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.28
Rot. Bonds6

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

N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (PubChem CID 119625668) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
PubChem CID119625668
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(C)(C)N)o2)cc1.Cl.Cl
InChIInChI=1S/C17H23N3O2.2ClH/c1-12-4-6-13(7-5-12)14-10-19-16(22-14)9-8-15(21)20-11-17(2,3)18;;/h4-7,10H,8-9,11,18H2,1-3H3,(H,20,21);2*1H
InChIKeyFZHYIFUPHJQDKM-UHFFFAOYSA-N
XLogP3.28
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
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
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111483980
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (CID 119625668) is N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)N)o2)cc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The InChIKey is FZHYIFUPHJQDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.2ClH/c1-12-4-6-13(7-5-12)14-10-19-16(22-14)9-8-15(21)20-11-17(2,3)18;;/h4-7,10H,8-9,11,18H2,1-3H3,(H,20,21);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride has a molecular weight of 374.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119625668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).