N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide

C20H31N5O3 — CID 110057768

IUPACN'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
SMILESCCOCCC/N=C(\NCCc1ccco1)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C20H31N5O3/c1-2-26-14-4-8-21-20(22-9-6-19-5-3-15-27-19)25-12-10-24(11-13-25)17-18-7-16-28-23-18/h3,5,7,15-16H,2,4,6,8-14,17H2,1H3,(H,21,22)
InChIKeyGLTLZPXCUZUGNT-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.00
Rot. Bonds10

About N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide

N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide (PubChem CID 110057768) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
PubChem CID110057768
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
SMILESCCOCCC/N=C(\NCCc1ccco1)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C20H31N5O3/c1-2-26-14-4-8-21-20(22-9-6-19-5-3-15-27-19)25-12-10-24(11-13-25)17-18-7-16-28-23-18/h3,5,7,15-16H,2,4,6,8-14,17H2,1H3,(H,21,22)
InChIKeyGLTLZPXCUZUGNT-UHFFFAOYSA-N
XLogP2.00
TPSA79.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110057765
N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
CID 110057764
N-cyclopropyl-2-[4-[N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]acetamide
CID 111378968
N'-(3-ethoxypropyl)-4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111166558
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111419870
2-[4-[N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111412165
2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110043961
ethyl 1-[N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155299
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301967
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057585
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide
CID 110060790
N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053750

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide (CID 110057768) is N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide is CCOCCC/N=C(\NCCc1ccco1)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is GLTLZPXCUZUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-2-26-14-4-8-21-20(22-9-6-19-5-3-15-27-19)25-12-10-24(11-13-25)17-18-7-16-28-23-18/h3,5,7,15-16H,2,4,6,8-14,17H2,1H3,(H,21,22).
What are the key properties of N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide?
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 389.50 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110057768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).