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

C12H16N2O2 — CID 45101106

IUPAC(4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(OC[C@H]1COC(N)=N1)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-9(10-5-3-2-4-6-10)15-7-11-8-16-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9?,11-/m0/s1
InChIKeyJBEXETMMMVZWDA-UMJHXOGRSA-N
MW220.27 g/mol
LogP1.48
Rot. Bonds4

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

(4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45101106) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45101106
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(OC[C@H]1COC(N)=N1)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-9(10-5-3-2-4-6-10)15-7-11-8-16-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9?,11-/m0/s1
InChIKeyJBEXETMMMVZWDA-UMJHXOGRSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(1-phenylethoxymethyl)-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

Related Compounds

Aminorex
CID 16630
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
4,4'-Dimethylaminorex
CID 20741615
(4S,5R)-4-Methylaminorex
CID 3058692
4-Methylaminorex, (4S,5S)-
CID 214156
(S)-4-[(Benzyloxy)methyl]-4,5-dihydrooxazol-2-amine
CID 59323636
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole
CID 45487144
(S)-4-[(S)-1-(4-Fluoro-phenyl)-ethoxymethyl]-4,5-dihydro-oxazol-2-ylamine
CID 45101107
(4S)-4-[[(1S)-1-phenylpropoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173192
Acetamidine, 2-ethoxy-N-isopropyl-2-phenyl-
CID 39457
Ethoxy-N-(3-methoxypropyl)phenylethanimidamide
CID 47191

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 45101106) is (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine is CC(OC[C@H]1COC(N)=N1)c1ccccc1.
What is the InChIKey of (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JBEXETMMMVZWDA-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(10-5-3-2-4-6-10)15-7-11-8-16-12(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-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 220.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-phenylethoxymethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45101106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).