(4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H16N2O2 — CID 45100725

IUPAC(4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-9(7-10-8-15-12(13)14-10)16-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14)/t9-,10-/m0/s1
InChIKeyQAFMGJVHBQPXOT-UWVGGRQHSA-N
MW220.27 g/mol
LogP1.56
Rot. Bonds4

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

(4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45100725) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45100725
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-9(7-10-8-15-12(13)14-10)16-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14)/t9-,10-/m0/s1
InChIKeyQAFMGJVHBQPXOT-UWVGGRQHSA-N
XLogP1.56
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45100725) is (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is C[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1.
What is the InChIKey of (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QAFMGJVHBQPXOT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(7-10-8-15-12(13)14-10)16-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14)/t9-,10-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 220.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-phenoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45100725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).