N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride

C15H20Cl2FN3O2 — CID 119998364

IUPACN-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
SMILESCC(CN)CNC(=O)Cc1coc(-c2ccc(F)cc2)n1.Cl.Cl
InChIInChI=1S/C15H18FN3O2.2ClH/c1-10(7-17)8-18-14(20)6-13-9-21-15(19-13)11-2-4-12(16)5-3-11;;/h2-5,9-10H,6-8,17H2,1H3,(H,18,20);2*1H
InChIKeyGCZZNZUMIHNXFB-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.58
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride

N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride (PubChem CID 119998364) has the molecular formula C15H20Cl2FN3O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
PubChem CID119998364
Molecular FormulaC15H20Cl2FN3O2
Molecular Weight364.25 g/mol
Exact Mass363.09
IUPAC NameN-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
SMILESCC(CN)CNC(=O)Cc1coc(-c2ccc(F)cc2)n1.Cl.Cl
InChIInChI=1S/C15H18FN3O2.2ClH/c1-10(7-17)8-18-14(20)6-13-9-21-15(19-13)11-2-4-12(16)5-3-11;;/h2-5,9-10H,6-8,17H2,1H3,(H,18,20);2*1H
InChIKeyGCZZNZUMIHNXFB-UHFFFAOYSA-N
XLogP2.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
CID 120591332
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 154864262
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119603433
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119996957

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride (CID 119998364) is N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride is CC(CN)CNC(=O)Cc1coc(-c2ccc(F)cc2)n1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
The InChIKey is GCZZNZUMIHNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2.2ClH/c1-10(7-17)8-18-14(20)6-13-9-21-15(19-13)11-2-4-12(16)5-3-11;;/h2-5,9-10H,6-8,17H2,1H3,(H,18,20);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride has a molecular weight of 364.25 g/mol, XLogP of 2.58, 6 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)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119998364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).