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

C7H14N2O2 — CID 59173177

IUPAC(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCOCC[C@H]1COC(N)=N1
InChIInChI=1S/C7H14N2O2/c1-2-10-4-3-6-5-11-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)/t6-/m0/s1
InChIKeyJGRVBSZVRGOTGE-LURJTMIESA-N
MW158.20 g/mol
LogP0.13
Rot. Bonds4

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

(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173177) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173177
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCOCC[C@H]1COC(N)=N1
InChIInChI=1S/C7H14N2O2/c1-2-10-4-3-6-5-11-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)/t6-/m0/s1
InChIKeyJGRVBSZVRGOTGE-LURJTMIESA-N
XLogP0.13
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4S)-4-(2-ethoxyethyl)-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

4-Methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18376830
4-Ethyl-1,3-oxazolidin-2-imine
CID 44337211
(R)-4-Methyl-4,5-dihydrooxazol-2-amine
CID 18594314
(S)-4-Methyl-4,5-dihydrooxazol-2-amine
CID 18594316
(4S)-4-[(2R)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173095
(4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173109
(4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59173124
(S)-4-Ethyl-4,5-dihydrooxazol-2-amine
CID 59173126
(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173159
(4S)-4-(propan-2-yloxymethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59173200
(4S)-4-[(2R)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59191996
2-(Oxolan-3-yl)guanidine
CID 80714297

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59173177) is (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine is CCOCC[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JGRVBSZVRGOTGE-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-10-4-3-6-5-11-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)/t6-/m0/s1.
What are the key properties of (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 158.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).