2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride

C14H21Cl2N3O3 — CID 120830795

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)Cc1nc(-c2ccco2)oc1C.Cl.Cl
InChIInChI=1S/C14H19N3O3.2ClH/c1-9(15-3)8-16-13(18)7-11-10(2)20-14(17-11)12-5-4-6-19-12;;/h4-6,9,15H,7-8H2,1-3H3,(H,16,18);2*1H
InChIKeyOCVSMNONFLDYCO-UHFFFAOYSA-N
MW350.25 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride (PubChem CID 120830795) has the molecular formula C14H21Cl2N3O3 and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
PubChem CID120830795
Molecular FormulaC14H21Cl2N3O3
Molecular Weight350.25 g/mol
Exact Mass349.10
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)Cc1nc(-c2ccco2)oc1C.Cl.Cl
InChIInChI=1S/C14H19N3O3.2ClH/c1-9(15-3)8-16-13(18)7-11-10(2)20-14(17-11)12-5-4-6-19-12;;/h4-6,9,15H,7-8H2,1-3H3,(H,16,18);2*1H
InChIKeyOCVSMNONFLDYCO-UHFFFAOYSA-N
XLogP2.35
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 126790370
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946480
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119447492
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119393013
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544803
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 96548574
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484864
3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541365
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride (CID 120830795) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride is CNC(C)CNC(=O)Cc1nc(-c2ccco2)oc1C.Cl.Cl.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The InChIKey is OCVSMNONFLDYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.2ClH/c1-9(15-3)8-16-13(18)7-11-10(2)20-14(17-11)12-5-4-6-19-12;;/h4-6,9,15H,7-8H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride has a molecular weight of 350.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 120830795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).