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

C10H11FN2O — CID 91220190

IUPAC[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5,9,13H,6,12H2
InChIKeyFQABVOJZDKNSDM-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.03
Rot. Bonds2

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

[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 91220190) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID91220190
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5,9,13H,6,12H2
InChIKeyFQABVOJZDKNSDM-UHFFFAOYSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
3-(Benzylamino)oxy-2-fluoropropan-1-amine
CID 21653004
N-ethenoxy-1-(4-fluorophenyl)methanamine
CID 23559810
5-(Isothiocyanatomethyl)-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 56982316
1-[[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
CID 57012206
N-[[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57079825
5-(Chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57128721
3-[(2,2-Difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
CID 57132572
3-(4-Fluorophenyl)-5-(isothiocyanatomethyl)-2,5-dihydro-1,2-oxazole
CID 57175537
N-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57233056
5-(Isothiocyanatomethyl)-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 57256240
N-ethoxy-1-(2-fluorophenyl)methanamine
CID 60702465

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 91220190) is [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is NCC1C=C(c2ccc(F)cc2)NO1.
What is the InChIKey of [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is FQABVOJZDKNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5,9,13H,6,12H2.
What are the key properties of [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 194.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 91220190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).