N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide

C24H27FN4O2 — CID 87954185

IUPACN'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/c2cc(C(C)c3ccc(-c4ccccc4)c(F)c3)no2)CC(C)O1
InChIInChI=1S/C24H27FN4O2/c1-15-13-29(14-16(2)30-15)24(26)27-23-12-22(28-31-23)17(3)19-9-10-20(21(25)11-19)18-7-5-4-6-8-18/h4-12,15-17H,13-14H2,1-3H3,(H2,26,27)
InChIKeyLIBNUQNYFRIKCR-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.69
Rot. Bonds4

About N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide

N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide (PubChem CID 87954185) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide
PubChem CID87954185
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/c2cc(C(C)c3ccc(-c4ccccc4)c(F)c3)no2)CC(C)O1
InChIInChI=1S/C24H27FN4O2/c1-15-13-29(14-16(2)30-15)24(26)27-23-12-22(28-31-23)17(3)19-9-10-20(21(25)11-19)18-7-5-4-6-8-18/h4-12,15-17H,13-14H2,1-3H3,(H2,26,27)
InChIKeyLIBNUQNYFRIKCR-UHFFFAOYSA-N
XLogP4.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.69
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'}

Analyze N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[1-[3-fluoro-4-(4-hydroxyphenyl)phenyl]ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide;hydrochloride
CID 18693773
N'-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]thiomorpholine-4-carboximidamide
CID 54404143
4-acetyl-N'-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]piperazine-1-carboximidamide
CID 54259435
N'-[3-[1-(4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
CID 54149386
N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 54302665
4-(dimethylamino)-N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboximidamide
CID 54245562
2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol
CID 18693576
tert-butyl N-[N-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-C-(1-oxo-1,4-thiazinan-4-yl)carbonimidoyl]carbamate
CID 139808582
2-[[amino-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]amino]methylidene]amino]acetic acid
CID 18693459
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 18693765
N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-(hydroxymethyl)-1,2-oxazol-5-yl]piperidine-1-carboximidamide
CID 18693975
(3E)-3-[amino(dimethylamino)methylidene]-2-[3-[1-[4-(2-fluorophenyl)phenyl]ethyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine
CID 18693483

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide (CID 87954185) is N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/c2cc(C(C)c3ccc(-c4ccccc4)c(F)c3)no2)CC(C)O1.
What is the InChIKey of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide?
The InChIKey is LIBNUQNYFRIKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-15-13-29(14-16(2)30-15)24(26)27-23-12-22(28-31-23)17(3)19-9-10-20(21(25)11-19)18-7-5-4-6-8-18/h4-12,15-17H,13-14H2,1-3H3,(H2,26,27).
What are the key properties of N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide?
N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide has a molecular weight of 422.50 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 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]-2,6-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 87954185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).