N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide

C21H30N4O4 — CID 42855989

IUPACN-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESC=CCCC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1
InChIInChI=1S/C21H30N4O4/c1-3-4-6-17(26)13-24-8-10-25(11-9-24)15-20-22-19(16-29-20)21(27)23(2)14-18-7-5-12-28-18/h3,5,7,12,16-17,26H,1,4,6,8-11,13-15H2,2H3
InChIKeyCJCVSENGLUJSJS-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.98
Rot. Bonds10

About N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42855989) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42855989
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESC=CCCC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1
InChIInChI=1S/C21H30N4O4/c1-3-4-6-17(26)13-24-8-10-25(11-9-24)15-20-22-19(16-29-20)21(27)23(2)14-18-7-5-12-28-18/h3,5,7,12,16-17,26H,1,4,6,8-11,13-15H2,2H3
InChIKeyCJCVSENGLUJSJS-UHFFFAOYSA-N
XLogP1.98
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
N-(furan-2-ylmethyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168481
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
Furan-2-yl-[4-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 56666935
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 42855989) is N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is C=CCCC(O)CN1CCN(Cc2nc(C(=O)N(C)Cc3ccco3)co2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is CJCVSENGLUJSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-3-4-6-17(26)13-24-8-10-25(11-9-24)15-20-22-19(16-29-20)21(27)23(2)14-18-7-5-12-28-18/h3,5,7,12,16-17,26H,1,4,6,8-11,13-15H2,2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42855989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).