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

C12H16N2O — CID 59323854

IUPAC(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)7-11-8-15-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9-,11-/m0/s1
InChIKeyAGHKCLYLZRRYHN-ONGXEEELSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds3

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

(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323854) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323854
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)7-11-8-15-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9-,11-/m0/s1
InChIKeyAGHKCLYLZRRYHN-ONGXEEELSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323854) is (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine is C[C@@H](C[C@H]1COC(N)=N1)c1ccccc1.
What is the InChIKey of (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is AGHKCLYLZRRYHN-ONGXEEELSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)7-11-8-15-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9-,11-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 204.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).