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

C10H11FN2O — CID 95348408

IUPAC[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNC[C@H]1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6,12H2/t9-/m1/s1
InChIKeyJZXNYFFVGKWTHC-SECBINFHSA-N
MW194.21 g/mol
LogP1.28
Rot. Bonds2

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

[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 95348408) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID95348408
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNC[C@H]1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6,12H2/t9-/m1/s1
InChIKeyJZXNYFFVGKWTHC-SECBINFHSA-N
XLogP1.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 95348408) is [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is NC[C@H]1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is JZXNYFFVGKWTHC-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6,12H2/t9-/m1/s1.
What are the key properties of [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 194.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 95348408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).