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

C24H25FN4O — CID 54407990

IUPACN'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide
SMILESN/C(=N\c1cc(C2(c3ccc(-c4ccccc4)c(F)c3)CC2)on1)N1CCCCC1
InChIInChI=1S/C24H25FN4O/c25-20-15-18(9-10-19(20)17-7-3-1-4-8-17)24(11-12-24)21-16-22(28-30-21)27-23(26)29-13-5-2-6-14-29/h1,3-4,7-10,15-16H,2,5-6,11-14H2,(H2,26,27,28)
InChIKeyVSCRNPVAJXEXRO-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.99
Rot. Bonds4

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

N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide (PubChem CID 54407990) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide
PubChem CID54407990
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide
SMILESN/C(=N\c1cc(C2(c3ccc(-c4ccccc4)c(F)c3)CC2)on1)N1CCCCC1
InChIInChI=1S/C24H25FN4O/c25-20-15-18(9-10-19(20)17-7-3-1-4-8-17)24(11-12-24)21-16-22(28-30-21)27-23(26)29-13-5-2-6-14-29/h1,3-4,7-10,15-16H,2,5-6,11-14H2,(H2,26,27,28)
InChIKeyVSCRNPVAJXEXRO-UHFFFAOYSA-N
XLogP4.99
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

CID 168276215
CID 168276215
CID 168285149
CID 168285149
CID 18693328
CID 18693328
CID 18693346
CID 18693346
CID 18693353
CID 18693353
CID 18693356
CID 18693356
CID 18693379
CID 18693379
CID 18693394
CID 18693394
CID 18693396
CID 18693396
CID 18693398
CID 18693398
CID 18693412
CID 18693412
CID 18693414
CID 18693414

Frequently Asked Questions

What is the IUPAC name of N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide?
The IUPAC name of N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide (CID 54407990) is N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide is N/C(=N\c1cc(C2(c3ccc(-c4ccccc4)c(F)c3)CC2)on1)N1CCCCC1.
What is the InChIKey of N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide?
The InChIKey is VSCRNPVAJXEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-20-15-18(9-10-19(20)17-7-3-1-4-8-17)24(11-12-24)21-16-22(28-30-21)27-23(26)29-13-5-2-6-14-29/h1,3-4,7-10,15-16H,2,5-6,11-14H2,(H2,26,27,28).
What are the key properties of N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide?
N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide has a molecular weight of 404.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[1-(3-fluoro-4-phenylphenyl)cyclopropyl]-1,2-oxazol-3-yl]piperidine-1-carboximidamide is sourced from PubChem (CID 54407990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).