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

C12H16N2O — CID 59323844

IUPAC(4S)-4-[(2R)-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+/m1/s1
InChIKeyAGHKCLYLZRRYHN-KOLCDFICSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds3

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

(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323844) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323844
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-[(2R)-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+/m1/s1
InChIKeyAGHKCLYLZRRYHN-KOLCDFICSA-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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Related Compounds

4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323805
(4R)-4-[[dimethyl(phenyl)silyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323853
4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68716156
(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45102519
(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323649
(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59173177
4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271503
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 66998047
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173136
(4S)-4-[(2S)-2-(4-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45100819
4-[2-(4-chloro-3-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177737

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323844) is (4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2R)-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-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is AGHKCLYLZRRYHN-KOLCDFICSA-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+/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2R)-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-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).