5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine

C12H11FN2O — CID 66199156

IUPAC5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CC2)c1-c1ccccc1F
InChIInChI=1S/C12H11FN2O/c13-9-4-2-1-3-8(9)10-11(7-5-6-7)16-15-12(10)14/h1-4,7H,5-6H2,(H2,14,15)
InChIKeyCMKYIQXKPGGPIH-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.94
Rot. Bonds2

About 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine

5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199156) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66199156
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CC2)c1-c1ccccc1F
InChIInChI=1S/C12H11FN2O/c13-9-4-2-1-3-8(9)10-11(7-5-6-7)16-15-12(10)14/h1-4,7H,5-6H2,(H2,14,15)
InChIKeyCMKYIQXKPGGPIH-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine (CID 66199156) is 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(C2CC2)c1-c1ccccc1F.
What is the InChIKey of 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is CMKYIQXKPGGPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-9-4-2-1-3-8(9)10-11(7-5-6-7)16-15-12(10)14/h1-4,7H,5-6H2,(H2,14,15).
What are the key properties of 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 218.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).