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

C7H14N2O2 — CID 59173109

IUPAC(4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCO[C@@H](C)C[C@H]1COC(N)=N1
InChIInChI=1S/C7H14N2O2/c1-5(10-2)3-6-4-11-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6-/m0/s1
InChIKeyGVHASMXQVZODLT-WDSKDSINSA-N
MW158.20 g/mol
LogP0.12
Rot. Bonds3

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

(4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173109) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173109
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCO[C@@H](C)C[C@H]1COC(N)=N1
InChIInChI=1S/C7H14N2O2/c1-5(10-2)3-6-4-11-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6-/m0/s1
InChIKeyGVHASMXQVZODLT-WDSKDSINSA-N
XLogP0.12
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.12
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-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59173109) is (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is CO[C@@H](C)C[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is GVHASMXQVZODLT-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(10-2)3-6-4-11-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 158.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).