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

C12H15FN2O — CID 115061594

IUPAC2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESNCCC1=NCC(Cc2cccc(F)c2)O1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-2-9(6-10)7-11-8-15-12(16-11)4-5-14/h1-3,6,11H,4-5,7-8,14H2
InChIKeyOWQQXYSDZYWCEW-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.51
Rot. Bonds4

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

2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (PubChem CID 115061594) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
PubChem CID115061594
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESNCCC1=NCC(Cc2cccc(F)c2)O1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-2-9(6-10)7-11-8-15-12(16-11)4-5-14/h1-3,6,11H,4-5,7-8,14H2
InChIKeyOWQQXYSDZYWCEW-UHFFFAOYSA-N
XLogP1.51
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
CID 115061627
2-[5-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061610
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563
2-[2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 115060848
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060840
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
CID 66404826
4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115062497
2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
CID 79219136
2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672465

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (CID 115061594) is 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is NCCC1=NCC(Cc2cccc(F)c2)O1.
What is the InChIKey of 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OWQQXYSDZYWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-1-2-9(6-10)7-11-8-15-12(16-11)4-5-14/h1-3,6,11H,4-5,7-8,14H2.
What are the key properties of 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine has a molecular weight of 222.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115061594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).