N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C18H26N4O3 — CID 47085944

IUPACN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCN1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C18H26N4O3/c1-21(2)9-10-22-7-5-14(6-8-22)13-19-18(23)15-12-17(25-20-15)16-4-3-11-24-16/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,19,23)
InChIKeyREWBWFLKHSEUQW-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds7

About N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 47085944) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID47085944
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCN1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C18H26N4O3/c1-21(2)9-10-22-7-5-14(6-8-22)13-19-18(23)15-12-17(25-20-15)16-4-3-11-24-16/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,19,23)
InChIKeyREWBWFLKHSEUQW-UHFFFAOYSA-N
XLogP1.94
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-(furan-2-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786575
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
CID 126768915
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 51055335
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619
5-(furan-2-yl)-N-[2-(N-methylanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 24668034
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 112817167
ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 110305616
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide
CID 86949707
5-(furan-2-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 47899665
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 47085944) is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CN(C)CCN1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is REWBWFLKHSEUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21(2)9-10-22-7-5-14(6-8-22)13-19-18(23)15-12-17(25-20-15)16-4-3-11-24-16/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47085944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).