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

C17H25Cl2N3O2 — CID 119996718

IUPACN-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NCC(C)CN)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C17H23N3O2.2ClH/c1-12(10-18)11-19-15(21)8-9-16-20-13(2)17(22-16)14-6-4-3-5-7-14;;/h3-7,12H,8-11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyODKKFBOPUCCBPQ-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.14
Rot. Bonds7

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

N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (PubChem CID 119996718) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
PubChem CID119996718
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NCC(C)CN)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C17H23N3O2.2ClH/c1-12(10-18)11-19-15(21)8-9-16-20-13(2)17(22-16)14-6-4-3-5-7-14;;/h3-7,12H,8-11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyODKKFBOPUCCBPQ-UHFFFAOYSA-N
XLogP3.14
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.14
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
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N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
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CID 119230028
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
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N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (CID 119996718) is N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is Cc1nc(CCC(=O)NCC(C)CN)oc1-c1ccccc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The InChIKey is ODKKFBOPUCCBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.2ClH/c1-12(10-18)11-19-15(21)8-9-16-20-13(2)17(22-16)14-6-4-3-5-7-14;;/h3-7,12H,8-11,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride has a molecular weight of 374.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119996718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).