(4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H15FN2O2 — CID 45101107

IUPAC(4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@H](OC[C@H]1COC(N)=N1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(9-2-4-10(13)5-3-9)16-6-11-7-17-12(14)15-11/h2-5,8,11H,6-7H2,1H3,(H2,14,15)/t8-,11-/m0/s1
InChIKeyKCIPPVXWCVNOFZ-KWQFWETISA-N
MW238.26 g/mol
LogP1.62
Rot. Bonds4

About (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45101107) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45101107
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@H](OC[C@H]1COC(N)=N1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(9-2-4-10(13)5-3-9)16-6-11-7-17-12(14)15-11/h2-5,8,11H,6-7H2,1H3,(H2,14,15)/t8-,11-/m0/s1
InChIKeyKCIPPVXWCVNOFZ-KWQFWETISA-N
XLogP1.62
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45101107) is (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine is C[C@H](OC[C@H]1COC(N)=N1)c1ccc(F)cc1.
What is the InChIKey of (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is KCIPPVXWCVNOFZ-KWQFWETISA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(9-2-4-10(13)5-3-9)16-6-11-7-17-12(14)15-11/h2-5,8,11H,6-7H2,1H3,(H2,14,15)/t8-,11-/m0/s1.
What are the key properties of (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 238.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(1S)-1-(4-fluorophenyl)ethoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45101107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).