[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C11H13FN2O — CID 125173687

IUPAC[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNC[C@H]1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-2-8(4-9)5-10-6-11(7-13)15-14-10/h1-4,11H,5-7,13H2/t11-/m1/s1
InChIKeyCAEWBOJNCQLQOB-LLVKDONJSA-N
MW208.24 g/mol
LogP1.47
Rot. Bonds3

About [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine

[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 125173687) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID125173687
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNC[C@H]1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-2-8(4-9)5-10-6-11(7-13)15-14-10/h1-4,11H,5-7,13H2/t11-/m1/s1
InChIKeyCAEWBOJNCQLQOB-LLVKDONJSA-N
XLogP1.47
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 58046602
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N,N-dimethylmethanamine
CID 56648594
5-(Fluoromethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 154714385
(3-phenyl-5,6-dihydro-4H-oxazin-6-yl)methanamine
CID 177801393
5-Aminomethyl-3-phenyl-2-isoxazoline
CID 12889668
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715265
1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715480
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
CID 24715614
N-{[3-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-2-butynamide
CID 45216167
3-(4-fluorophenyl)-N'-hydroxy-4,5-dihydro-1,2-oxazole-5-carboximidamide
CID 42647393
2-[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]-N'~1~-hydroxyethanimidamide
CID 42647409
CID 53397159
CID 53397159

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 125173687) is [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine is NC[C@H]1CC(Cc2cccc(F)c2)=NO1.
What is the InChIKey of [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is CAEWBOJNCQLQOB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-1-2-8(4-9)5-10-6-11(7-13)15-14-10/h1-4,11H,5-7,13H2/t11-/m1/s1.
What are the key properties of [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 208.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 125173687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).