N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide

C23H25FN4O2 — CID 70081652

IUPACN'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
SMILESCC(Cc1cc(N=C(N)N2CCOCC2)on1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C23H25FN4O2/c1-16(17-6-8-18(9-7-17)20-4-2-3-5-21(20)24)14-19-15-22(30-27-19)26-23(25)28-10-12-29-13-11-28/h2-9,15-16H,10-14H2,1H3,(H2,25,26)
InChIKeyLTMVSUPXBYANGP-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.11
Rot. Bonds5

About N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide

N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide (PubChem CID 70081652) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
PubChem CID70081652
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
SMILESCC(Cc1cc(N=C(N)N2CCOCC2)on1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C23H25FN4O2/c1-16(17-6-8-18(9-7-17)20-4-2-3-5-21(20)24)14-19-15-22(30-27-19)26-23(25)28-10-12-29-13-11-28/h2-9,15-16H,10-14H2,1H3,(H2,25,26)
InChIKeyLTMVSUPXBYANGP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide (CID 70081652) is N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide is CC(Cc1cc(N=C(N)N2CCOCC2)on1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The InChIKey is LTMVSUPXBYANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16(17-6-8-18(9-7-17)20-4-2-3-5-21(20)24)14-19-15-22(30-27-19)26-23(25)28-10-12-29-13-11-28/h2-9,15-16H,10-14H2,1H3,(H2,25,26).
What are the key properties of N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide has a molecular weight of 408.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 70081652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).