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

C11H11FN2O — CID 115084321

IUPAC1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCC(N)c1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H11FN2O/c1-7(13)10-6-15-11(14-10)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3
InChIKeyYQYCZCMNJRBMJA-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.50
Rot. Bonds2

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

1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115084321) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115084321
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCC(N)c1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H11FN2O/c1-7(13)10-6-15-11(14-10)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3
InChIKeyYQYCZCMNJRBMJA-UHFFFAOYSA-N
XLogP2.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
CID 71692413
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115084331

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine (CID 115084321) is 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine is CC(N)c1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is YQYCZCMNJRBMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(13)10-6-15-11(14-10)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 206.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115084321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).