2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide

C19H28N4O3 — CID 42856213

IUPAC2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN2CCN(Cc3ccco3)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-15(2)5-6-20-19(24)17-14-26-18(21-17)13-23-9-7-22(8-10-23)12-16-4-3-11-25-16/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,20,24)
InChIKeyBEKRNQLIVBMLJO-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.36
Rot. Bonds8

About 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide

2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 42856213) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID42856213
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN2CCN(Cc3ccco3)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-15(2)5-6-20-19(24)17-14-26-18(21-17)13-23-9-7-22(8-10-23)12-16-4-3-11-25-16/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,20,24)
InChIKeyBEKRNQLIVBMLJO-UHFFFAOYSA-N
XLogP2.36
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
US10730889, Example 99
CID 145741249
[(5aS,8aS)-4-(furan-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1,3-oxazol-4-yl)methanone
CID 97420393
{2-[1-(2-Furylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-YL}(1-pyrrolidinyl)methanone
CID 53168378
{2-[1-(2-Furylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-yl}(piperidino)methanone
CID 53168401
{2-[1-(2-Furylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-yl}(morpholino)methanone
CID 53168419
N-(furan-2-ylmethyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168481
N-(furan-2-ylmethyl)-4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168498
2-(cyclopropanecarboxamido)-N-(furan-2-ylmethyl)oxazole-4-carboxamide
CID 71788399
2-[1-(Furan-2-carbonyl)piperidin-4-YL]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837842
N-(2-furylmethyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464267
2-tert-butyl-5-[[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35181791

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (CID 42856213) is 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is CC(C)CCNC(=O)c1coc(CN2CCN(Cc3ccco3)CC2)n1.
What is the InChIKey of 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BEKRNQLIVBMLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-15(2)5-6-20-19(24)17-14-26-18(21-17)13-23-9-7-22(8-10-23)12-16-4-3-11-25-16/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).