N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide

C24H31N5O2 — CID 110053750

IUPACN'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
SMILESCc1cc(CN2CCN(/C(=N/CCc3ccco3)NCCc3ccccc3)CC2)no1
InChIInChI=1S/C24H31N5O2/c1-20-18-22(27-31-20)19-28-13-15-29(16-14-28)24(26-12-10-23-8-5-17-30-23)25-11-9-21-6-3-2-4-7-21/h2-8,17-18H,9-16,19H2,1H3,(H,25,26)
InChIKeyIVHQSSQLXFCENV-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.12
Rot. Bonds8

About N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide

N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide (PubChem CID 110053750) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
PubChem CID110053750
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
SMILESCc1cc(CN2CCN(/C(=N/CCc3ccco3)NCCc3ccccc3)CC2)no1
InChIInChI=1S/C24H31N5O2/c1-20-18-22(27-31-20)19-28-13-15-29(16-14-28)24(26-12-10-23-8-5-17-30-23)25-11-9-21-6-3-2-4-7-21/h2-8,17-18H,9-16,19H2,1H3,(H,25,26)
InChIKeyIVHQSSQLXFCENV-UHFFFAOYSA-N
XLogP3.12
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110053749
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 110053744
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 111539277
N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111541116
N'-[2-(furan-2-yl)ethyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053676
N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110057765
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111492934
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
CID 110057768
N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
CID 110057764
N'-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 110053616
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide (CID 110053750) is N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide is Cc1cc(CN2CCN(/C(=N/CCc3ccco3)NCCc3ccccc3)CC2)no1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
The InChIKey is IVHQSSQLXFCENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-20-18-22(27-31-20)19-28-13-15-29(16-14-28)24(26-12-10-23-8-5-17-30-23)25-11-9-21-6-3-2-4-7-21/h2-8,17-18H,9-16,19H2,1H3,(H,25,26).
What are the key properties of N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide has a molecular weight of 421.55 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110053750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).