N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide

C24H26N4O2 — CID 70082813

IUPACN'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide
SMILESNC(=Nc1cc(CCc2cccc(C(=O)c3ccccc3)c2)no1)N1CCCCC1
InChIInChI=1S/C24H26N4O2/c25-24(28-14-5-2-6-15-28)26-22-17-21(27-30-22)13-12-18-8-7-11-20(16-18)23(29)19-9-3-1-4-10-19/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H2,25,26)
InChIKeyRREHQLXSOSYZME-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.12
Rot. Bonds6

About N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide

N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide (PubChem CID 70082813) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide
PubChem CID70082813
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide
SMILESNC(=Nc1cc(CCc2cccc(C(=O)c3ccccc3)c2)no1)N1CCCCC1
InChIInChI=1S/C24H26N4O2/c25-24(28-14-5-2-6-15-28)26-22-17-21(27-30-22)13-12-18-8-7-11-20(16-18)23(29)19-9-3-1-4-10-19/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H2,25,26)
InChIKeyRREHQLXSOSYZME-UHFFFAOYSA-N
XLogP4.12
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[amino-[[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]amino]methylidene]amino]acetic acid
CID 118279914
4-acetyl-N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]piperazine-1-carboximidamide
CID 18693683
N'-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-1-oxo-1,4-thiazinane-4-carboximidamide
CID 70082133
N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide
CID 18693520
N'-[3-[1-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]-1,3-thiazolidine-3-carboximidamide
CID 18693542
N'-[[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboximidamide;N'-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide
CID 70082607
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
N'-[2-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]ethyl]piperidine-1-carboximidamide;N'-[3-[3-[2-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide
CID 70082094
3-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 94804343
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 12805065

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide (CID 70082813) is N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide is NC(=Nc1cc(CCc2cccc(C(=O)c3ccccc3)c2)no1)N1CCCCC1.
What is the InChIKey of N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide?
The InChIKey is RREHQLXSOSYZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-24(28-14-5-2-6-15-28)26-22-17-21(27-30-22)13-12-18-8-7-11-20(16-18)23(29)19-9-3-1-4-10-19/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H2,25,26).
What are the key properties of N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide?
N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide has a molecular weight of 402.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(3-benzoylphenyl)ethyl]-1,2-oxazol-5-yl]piperidine-1-carboximidamide is sourced from PubChem (CID 70082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).