N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

C20H31Cl2N3O2 — CID 119598473

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NC(C)(CN)CC(C)C)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-14(2)12-20(4,13-21)23-17(24)10-11-18-22-15(3)19(25-18)16-8-6-5-7-9-16;;/h5-9,14H,10-13,21H2,1-4H3,(H,23,24);2*1H
InChIKeyLODSUAAUEJWVKL-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.31
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (PubChem CID 119598473) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
PubChem CID119598473
Molecular FormulaC20H31Cl2N3O2
Molecular Weight416.39 g/mol
Exact Mass415.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NC(C)(CN)CC(C)C)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-14(2)12-20(4,13-21)23-17(24)10-11-18-22-15(3)19(25-18)16-8-6-5-7-9-16;;/h5-9,14H,10-13,21H2,1-4H3,(H,23,24);2*1H
InChIKeyLODSUAAUEJWVKL-UHFFFAOYSA-N
XLogP4.31
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119598949
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119526054
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119598258
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119598322
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119598374
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119599173
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (CID 119598473) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is Cc1nc(CCC(=O)NC(C)(CN)CC(C)C)oc1-c1ccccc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The InChIKey is LODSUAAUEJWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.2ClH/c1-14(2)12-20(4,13-21)23-17(24)10-11-18-22-15(3)19(25-18)16-8-6-5-7-9-16;;/h5-9,14H,10-13,21H2,1-4H3,(H,23,24);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride has a molecular weight of 416.39 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119598473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).