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

C17H17FN2O2 — CID 45102374

IUPAC(4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2ccc(-c3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C17H17FN2O2/c18-14-5-1-12(2-6-14)13-3-7-16(8-4-13)21-10-9-15-11-22-17(19)20-15/h1-8,15H,9-11H2,(H2,19,20)/t15-/m0/s1
InChIKeyUWGMXINYKPAGGN-HNNXBMFYSA-N
MW300.33 g/mol
LogP2.98
Rot. Bonds5

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

(4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45102374) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45102374
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2ccc(-c3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C17H17FN2O2/c18-14-5-1-12(2-6-14)13-3-7-16(8-4-13)21-10-9-15-11-22-17(19)20-15/h1-8,15H,9-11H2,(H2,19,20)/t15-/m0/s1
InChIKeyUWGMXINYKPAGGN-HNNXBMFYSA-N
XLogP2.98
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45102374) is (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCOc2ccc(-c3ccc(F)cc3)cc2)CO1.
What is the InChIKey of (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is UWGMXINYKPAGGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-14-5-1-12(2-6-14)13-3-7-16(8-4-13)21-10-9-15-11-22-17(19)20-15/h1-8,15H,9-11H2,(H2,19,20)/t15-/m0/s1.
What are the key properties of (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 300.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[4-(4-fluorophenyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45102374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).