N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide

C18H28IN5O2 — CID 110057765

IUPACN-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(Cc2ccon2)CC1.I
InChIInChI=1S/C18H27N5O2.HI/c1-2-7-19-18(20-8-5-17-4-3-13-24-17)23-11-9-22(10-12-23)15-16-6-14-25-21-16;/h3-4,6,13-14H,2,5,7-12,15H2,1H3,(H,19,20);1H
InChIKeyVTXNBUYBHYYQEF-UHFFFAOYSA-N
MW473.36 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide

N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110057765) has the molecular formula C18H28IN5O2 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110057765
Molecular FormulaC18H28IN5O2
Molecular Weight473.36 g/mol
Exact Mass473.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(Cc2ccon2)CC1.I
InChIInChI=1S/C18H27N5O2.HI/c1-2-7-19-18(20-8-5-17-4-3-13-24-17)23-11-9-22(10-12-23)15-16-6-14-25-21-16;/h3-4,6,13-14H,2,5,7-12,15H2,1H3,(H,19,20);1H
InChIKeyVTXNBUYBHYYQEF-UHFFFAOYSA-N
XLogP2.60
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 52.60
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
CID 110057764
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]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
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'-[2-(furan-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053750
N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110053443
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367585
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide
CID 110057948
N,N-dimethyl-2-[[[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110043942
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide (CID 110057765) is N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide is CCC/N=C(\NCCc1ccco1)N1CCN(Cc2ccon2)CC1.I.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is VTXNBUYBHYYQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2.HI/c1-2-7-19-18(20-8-5-17-4-3-13-24-17)23-11-9-22(10-12-23)15-16-6-14-25-21-16;/h3-4,6,13-14H,2,5,7-12,15H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 473.36 g/mol, XLogP of 2.60, 7 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-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110057765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).