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

C23H25FN4O2 — CID 70080824

IUPACN'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide
SMILESCc1c(/N=C(\N)N2CCOCC2)noc1CCc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c1-16-21(30-27-22(16)26-23(25)28-11-13-29-14-12-28)10-8-17-7-9-19(20(24)15-17)18-5-3-2-4-6-18/h2-7,9,15H,8,10-14H2,1H3,(H2,25,26,27)
InChIKeyQVSOTZKDLVUION-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.85
Rot. Bonds5

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

N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide (PubChem CID 70080824) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide
PubChem CID70080824
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide
SMILESCc1c(/N=C(\N)N2CCOCC2)noc1CCc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c1-16-21(30-27-22(16)26-23(25)28-11-13-29-14-12-28)10-8-17-7-9-19(20(24)15-17)18-5-3-2-4-6-18/h2-7,9,15H,8,10-14H2,1H3,(H2,25,26,27)
InChIKeyQVSOTZKDLVUION-UHFFFAOYSA-N
XLogP3.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide (CID 70080824) is N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide is Cc1c(/N=C(\N)N2CCOCC2)noc1CCc1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide?
The InChIKey is QVSOTZKDLVUION-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-21(30-27-22(16)26-23(25)28-11-13-29-14-12-28)10-8-17-7-9-19(20(24)15-17)18-5-3-2-4-6-18/h2-7,9,15H,8,10-14H2,1H3,(H2,25,26,27).
What are the key properties of N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide?
N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide has a molecular weight of 408.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-(3-fluoro-4-phenylphenyl)ethyl]-4-methyl-1,2-oxazol-3-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 70080824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).