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

C12H13FN2O — CID 68534767

IUPAC1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine
SMILESCc1cc(CC(N)c2ccc(F)cc2)on1
InChIInChI=1S/C12H13FN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-6,12H,7,14H2,1H3
InChIKeyDALPBHMTHVFBOX-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.36
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine (PubChem CID 68534767) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine
PubChem CID68534767
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine
SMILESCc1cc(CC(N)c2ccc(F)cc2)on1
InChIInChI=1S/C12H13FN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-6,12H,7,14H2,1H3
InChIKeyDALPBHMTHVFBOX-UHFFFAOYSA-N
XLogP2.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]aniline
CID 43304322
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
3-methyl-5-(2-methylbutyl)-1,2-oxazole
CID 89112070
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
CID 107522751
N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486427
1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 62135129
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine (CID 68534767) is 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine is Cc1cc(CC(N)c2ccc(F)cc2)on1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine?
The InChIKey is DALPBHMTHVFBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-6,12H,7,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine?
1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine has a molecular weight of 220.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 68534767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).