N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

C16H25Cl2N3O2S — CID 119666734

IUPACN-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)Cc1nc(-c2ccsc2)oc1C.Cl.Cl
InChIInChI=1S/C16H23N3O2S.2ClH/c1-3-4-5-13(9-17)18-15(20)8-14-11(2)21-16(19-14)12-6-7-22-10-12;;/h6-7,10,13H,3-5,8-9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQMTVNJXXPNRZLF-UHFFFAOYSA-N
MW394.37 g/mol
LogP3.73
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (PubChem CID 119666734) has the molecular formula C16H25Cl2N3O2S and a molecular weight of 394.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
PubChem CID119666734
Molecular FormulaC16H25Cl2N3O2S
Molecular Weight394.37 g/mol
Exact Mass393.10
IUPAC NameN-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)Cc1nc(-c2ccsc2)oc1C.Cl.Cl
InChIInChI=1S/C16H23N3O2S.2ClH/c1-3-4-5-13(9-17)18-15(20)8-14-11(2)21-16(19-14)12-6-7-22-10-12;;/h6-7,10,13H,3-5,8-9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQMTVNJXXPNRZLF-UHFFFAOYSA-N
XLogP3.73
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
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N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119664891
N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
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N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (CID 119666734) is N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is CCCCC(CN)NC(=O)Cc1nc(-c2ccsc2)oc1C.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The InChIKey is QMTVNJXXPNRZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.2ClH/c1-3-4-5-13(9-17)18-15(20)8-14-11(2)21-16(19-14)12-6-7-22-10-12;;/h6-7,10,13H,3-5,8-9,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride has a molecular weight of 394.37 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119666734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).