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

C11H14N2O2 — CID 59323636

IUPAC(4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](COCc2ccccc2)CO1
InChIInChI=1S/C11H14N2O2/c12-11-13-10(8-15-11)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1
InChIKeyRKNBBACHUOTFHK-JTQLQIEISA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds4

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

(4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323636) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323636
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](COCc2ccccc2)CO1
InChIInChI=1S/C11H14N2O2/c12-11-13-10(8-15-11)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1
InChIKeyRKNBBACHUOTFHK-JTQLQIEISA-N
XLogP0.92
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323636) is (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](COCc2ccccc2)CO1.
What is the InChIKey of (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RKNBBACHUOTFHK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11-13-10(8-15-11)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1.
What are the key properties of (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 206.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).