(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine

C8H16N2O2 — CID 59173159

IUPAC(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCO[C@@H](C)C[C@H]1COC(N)=N1
InChIInChI=1S/C8H16N2O2/c1-3-11-6(2)4-7-5-12-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m0/s1
InChIKeyHIZWXOKBFOYRDJ-BQBZGAKWSA-N
MW172.23 g/mol
LogP0.51
Rot. Bonds4

About (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173159) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173159
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCO[C@@H](C)C[C@H]1COC(N)=N1
InChIInChI=1S/C8H16N2O2/c1-3-11-6(2)4-7-5-12-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m0/s1
InChIKeyHIZWXOKBFOYRDJ-BQBZGAKWSA-N
XLogP0.51
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59173159) is (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is CCO[C@@H](C)C[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HIZWXOKBFOYRDJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-11-6(2)4-7-5-12-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 172.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-ethoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).