N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide

C23H25FN4O2 — CID 18693528

IUPACN'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(/N=C(\N)N2CCC(O)CC2)on1
InChIInChI=1S/C23H25FN4O2/c1-15(17-7-8-19(20(24)13-17)16-5-3-2-4-6-16)21-14-22(30-27-21)26-23(25)28-11-9-18(29)10-12-28/h2-8,13-15,18,29H,9-12H2,1H3,(H2,25,26)
InChIKeyCCTIKACDXCFJOJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.04
Rot. Bonds4

About N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide

N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide (PubChem CID 18693528) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide
PubChem CID18693528
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(/N=C(\N)N2CCC(O)CC2)on1
InChIInChI=1S/C23H25FN4O2/c1-15(17-7-8-19(20(24)13-17)16-5-3-2-4-6-16)21-14-22(30-27-21)26-23(25)28-11-9-18(29)10-12-28/h2-8,13-15,18,29H,9-12H2,1H3,(H2,25,26)
InChIKeyCCTIKACDXCFJOJ-UHFFFAOYSA-N
XLogP4.04
TPSA87.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
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

Rimacalib
CID 9800765
SMP 114; N-[3-[(1S)-1-(2-Fluoro[1,1'-biphenyl]-4-yl)ethyl]-5-isoxazolyl]-4-morpholinecarboximidamide
CID 40486337
CID 10157465
CID 10157465
2-[[3-[1-(3-Fluoro-4-phenylphenyl)ethenyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine
CID 18693329
1-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(2-hydroxyethyl)-3-[N'-(2-hydroxyethyl)carbamimidoyl]guanidine
CID 18693331
2-[[5-[1-(3-Fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
CID 18693332
5-[(E)-[amino(morpholin-4-yl)methylidene]amino]-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazole-4-carboxylic acid
CID 18693334
1-[3-[1-(3-Fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-methoxyethyl)guanidine
CID 18693339
1-[3-[2-[4-(2-Fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-[2-(3-hydroxypropoxy)ethyl]guanidine
CID 18693340
2-Ethyl-1-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]guanidine
CID 18693343
N'-[3-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]propyl]piperidine-1-carboximidamide
CID 18693346
1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5-methoxy-5,6-dihydro-4H-pyrimidin-2-amine
CID 18693354

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide?
The IUPAC name of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide (CID 18693528) is N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(/N=C(\N)N2CCC(O)CC2)on1.
What is the InChIKey of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide?
The InChIKey is CCTIKACDXCFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15(17-7-8-19(20(24)13-17)16-5-3-2-4-6-16)21-14-22(30-27-21)26-23(25)28-11-9-18(29)10-12-28/h2-8,13-15,18,29H,9-12H2,1H3,(H2,25,26).
What are the key properties of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide?
N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide has a molecular weight of 408.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 18693528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).