[5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine

C8H11FN2O — CID 130941402

IUPAC[5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine
SMILESCC1(c2ocnc2CN)CC1F
InChIInChI=1S/C8H11FN2O/c1-8(2-6(8)9)7-5(3-10)11-4-12-7/h4,6H,2-3,10H2,1H3
InChIKeyIUVDJGYMYSIEMQ-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.13
Rot. Bonds2

About [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine

[5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 130941402) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine
PubChem CID130941402
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name[5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine
SMILESCC1(c2ocnc2CN)CC1F
InChIInChI=1S/C8H11FN2O/c1-8(2-6(8)9)7-5(3-10)11-4-12-7/h4,6H,2-3,10H2,1H3
InChIKeyIUVDJGYMYSIEMQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine (CID 130941402) is [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine is CC1(c2ocnc2CN)CC1F.
What is the InChIKey of [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is IUVDJGYMYSIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-8(2-6(8)9)7-5(3-10)11-4-12-7/h4,6H,2-3,10H2,1H3.
What are the key properties of [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine?
[5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 170.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-1-methylcyclopropyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 130941402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).