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

C22H23FN4O2 — CID 142073755

IUPACN'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1coc(N=C(N)N2CCOCC2)n1
InChIInChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-29-22(25-20)26-21(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25,26)
InChIKeyNKFMZOKXKCIRQF-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.91
Rot. Bonds4

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

N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide (PubChem CID 142073755) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide
PubChem CID142073755
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1coc(N=C(N)N2CCOCC2)n1
InChIInChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-29-22(25-20)26-21(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25,26)
InChIKeyNKFMZOKXKCIRQF-UHFFFAOYSA-N
XLogP3.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.91
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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Related Compounds

2-Amino-4-(1-(2-fluoro-4-biphenylyl)ethyl)oxazole
CID 15676053
4-(1-(2-Fluoro-4-biphenylyl)ethyl)-2-methylaminooxazole
CID 15676054
1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110496
Cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 70997601
1-[4-[4-(4-Fluorophenyl)phenyl]-1,3-oxazol-2-yl]piperidine-3-carboxylic acid
CID 164706668
N,4-dibenzyl-N-methyl-1,3-oxazol-2-amine
CID 101273350
4-[(2-Fluorophenyl)methyl]-1,3-oxazol-2-amine
CID 117538993
4-[(4-Fluorophenyl)methyl]-1,3-oxazol-2-amine
CID 117538994
4-[(3-Fluorophenyl)methyl]-1,3-oxazol-2-amine
CID 117539015
4-[(2-fluorophenyl)methyl]-N-methyl-1,3-oxazol-2-amine
CID 117539050
4-[(4-fluorophenyl)methyl]-N-methyl-1,3-oxazol-2-amine
CID 117539051
4-[(3-fluorophenyl)methyl]-N-methyl-1,3-oxazol-2-amine
CID 117539072

Frequently Asked Questions

What is the IUPAC name of N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide (CID 142073755) is N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide is CC(c1ccc(-c2ccccc2)c(F)c1)c1coc(N=C(N)N2CCOCC2)n1.
What is the InChIKey of N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide?
The InChIKey is NKFMZOKXKCIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-29-22(25-20)26-21(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25,26).
What are the key properties of N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide?
N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide has a molecular weight of 394.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 142073755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).