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

C22H35N5O4 — CID 42855992

IUPACN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCC(C)N(C)CC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1
InChIInChI=1S/C22H35N5O4/c1-17(2)24(3)12-18(28)13-26-7-9-27(10-8-26)15-21-23-20(16-31-21)22(29)25(4)14-19-6-5-11-30-19/h5-6,11,16-18,28H,7-10,12-15H2,1-4H3
InChIKeyGVUNBJDIXOGRQO-UHFFFAOYSA-N
MW433.55 g/mol
LogP1.36
Rot. Bonds10

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

N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42855992) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42855992
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCC(C)N(C)CC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1
InChIInChI=1S/C22H35N5O4/c1-17(2)24(3)12-18(28)13-26-7-9-27(10-8-26)15-21-23-20(16-31-21)22(29)25(4)14-19-6-5-11-30-19/h5-6,11,16-18,28H,7-10,12-15H2,1-4H3
InChIKeyGVUNBJDIXOGRQO-UHFFFAOYSA-N
XLogP1.36
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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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-[(2-methylpiperidin-1-yl)methyl]-1,3-oxazole
CID 56668827
2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833522
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834338
2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834432
2-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42856102

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]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-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 42855992) is N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]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-[methyl(propan-2-yl)amino]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-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is CC(C)N(C)CC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is GVUNBJDIXOGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4/c1-17(2)24(3)12-18(28)13-26-7-9-27(10-8-26)15-21-23-20(16-31-21)22(29)25(4)14-19-6-5-11-30-19/h5-6,11,16-18,28H,7-10,12-15H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 1.36, 10 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-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42855992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).