N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine

C21H22FN3O2 — CID 46014763

IUPACN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
SMILESFc1ccccc1-c1noc(N2CCOCC2)c1CNCc1ccccc1
InChIInChI=1S/C21H22FN3O2/c22-19-9-5-4-8-17(19)20-18(15-23-14-16-6-2-1-3-7-16)21(27-24-20)25-10-12-26-13-11-25/h1-9,23H,10-15H2
InChIKeyXDEXGBBJHUJQIX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.61
Rot. Bonds6

About N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine

N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 46014763) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID46014763
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
SMILESFc1ccccc1-c1noc(N2CCOCC2)c1CNCc1ccccc1
InChIInChI=1S/C21H22FN3O2/c22-19-9-5-4-8-17(19)20-18(15-23-14-16-6-2-1-3-7-16)21(27-24-20)25-10-12-26-13-11-25/h1-9,23H,10-15H2
InChIKeyXDEXGBBJHUJQIX-UHFFFAOYSA-N
XLogP3.61
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
CID 24718053
1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 42843847
1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine
CID 46014698
N-[(2R)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 93222596
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93222599
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
CID 46028142
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42682736
N-[(2R)-butan-2-yl]-4-fluoro-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222594
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
CID 93222607
N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
CID 46298074
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93222637
N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 46028113

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine (CID 46014763) is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine is Fc1ccccc1-c1noc(N2CCOCC2)c1CNCc1ccccc1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is XDEXGBBJHUJQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-19-9-5-4-8-17(19)20-18(15-23-14-16-6-2-1-3-7-16)21(27-24-20)25-10-12-26-13-11-25/h1-9,23H,10-15H2.
What are the key properties of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 367.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 46014763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).