N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

C20H19FN2O2 — CID 71694081

IUPACN-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESFc1ccc(CNC2(Cc3cc(-c4ccccc4)on3)COC2)cc1
InChIInChI=1S/C20H19FN2O2/c21-17-8-6-15(7-9-17)12-22-20(13-24-14-20)11-18-10-19(25-23-18)16-4-2-1-3-5-16/h1-10,22H,11-14H2
InChIKeyIETWXSPZAUITMT-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.58
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 71694081) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID71694081
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESFc1ccc(CNC2(Cc3cc(-c4ccccc4)on3)COC2)cc1
InChIInChI=1S/C20H19FN2O2/c21-17-8-6-15(7-9-17)12-22-20(13-24-14-20)11-18-10-19(25-23-18)16-4-2-1-3-5-16/h1-10,22H,11-14H2
InChIKeyIETWXSPZAUITMT-UHFFFAOYSA-N
XLogP3.58
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233
N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775649
US11306078, Example 4.085
CID 141678106
US11306078, Example 4.089
CID 145450378
4-[[[3-[[5-[(Dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]benzonitrile
CID 56775432
2-(5-(4-fluorophenyl)isoxazol-3-yl)-N-(1-phenylethyl)acetamide
CID 16878788
2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
CID 26742909
N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 26742911
N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide
CID 26742913
N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 26742921
N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777372

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 71694081) is N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is Fc1ccc(CNC2(Cc3cc(-c4ccccc4)on3)COC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is IETWXSPZAUITMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-17-8-6-15(7-9-17)12-22-20(13-24-14-20)11-18-10-19(25-23-18)16-4-2-1-3-5-16/h1-10,22H,11-14H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 338.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 71694081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).