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

C22H34N4O5 — CID 42855988

IUPACN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCC(C)COCC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1
InChIInChI=1S/C22H34N4O5/c1-17(2)14-29-15-18(27)11-25-6-8-26(9-7-25)13-21-23-20(16-31-21)22(28)24(3)12-19-5-4-10-30-19/h4-5,10,16-18,27H,6-9,11-15H2,1-3H3
InChIKeyRHYHZEIYYBURBC-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.69
Rot. Bonds11

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

N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42855988) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42855988
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCC(C)COCC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1
InChIInChI=1S/C22H34N4O5/c1-17(2)14-29-15-18(27)11-25-6-8-26(9-7-25)13-21-23-20(16-31-21)22(28)24(3)12-19-5-4-10-30-19/h4-5,10,16-18,27H,6-9,11-15H2,1-3H3
InChIKeyRHYHZEIYYBURBC-UHFFFAOYSA-N
XLogP1.69
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(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
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
N-[(Furan-2-YL)methyl]-2-({4-[(4-methoxyphenyl)methyl]piperazin-1-YL}methyl)-1,3-oxazole-4-carboxamide
CID 46051548
2-(Furan-2-yl)-4-(piperidin-1-ylmethyl)-1,3-oxazole
CID 56658497
2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833522
2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 42856458
2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46051552
[7-[[Furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850933

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 42855988) is N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is CC(C)COCC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is RHYHZEIYYBURBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5/c1-17(2)14-29-15-18(27)11-25-6-8-26(9-7-25)13-21-23-20(16-31-21)22(28)24(3)12-19-5-4-10-30-19/h4-5,10,16-18,27H,6-9,11-15H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 1.69, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42855988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).