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

C6H12N2O2 — CID 59173124

IUPAC(4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOCC[C@H]1COC(N)=N1
InChIInChI=1S/C6H12N2O2/c1-9-3-2-5-4-10-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyYMOUXNOXRSWYJI-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.26
Rot. Bonds3

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

(4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173124) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173124
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOCC[C@H]1COC(N)=N1
InChIInChI=1S/C6H12N2O2/c1-9-3-2-5-4-10-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyYMOUXNOXRSWYJI-YFKPBYRVSA-N
XLogP-0.26
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59173124) is (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine is COCC[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YMOUXNOXRSWYJI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-9-3-2-5-4-10-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1.
What are the key properties of (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 144.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).