(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine

C11H14N2O — CID 59824833

IUPAC(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCc2ccccc2)CO1
InChIInChI=1S/C11H14N2O/c12-11-13-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1
InChIKeyRWFKAYWCTYRPQU-JTQLQIEISA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds3

About (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59824833) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59824833
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCc2ccccc2)CO1
InChIInChI=1S/C11H14N2O/c12-11-13-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1
InChIKeyRWFKAYWCTYRPQU-JTQLQIEISA-N
XLogP1.33
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59824833) is (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCc2ccccc2)CO1.
What is the InChIKey of (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RWFKAYWCTYRPQU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O/c12-11-13-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1.
What are the key properties of (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59824833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).