(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H17N3O — CID 25016538

IUPAC(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@H]1COC(N)=N1)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyPPONHQQJLWPUPH-JTQLQIEISA-N
MW219.29 g/mol
LogP1.23
Rot. Bonds4

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

(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25016538) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25016538
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@H]1COC(N)=N1)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyPPONHQQJLWPUPH-JTQLQIEISA-N
XLogP1.23
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25016538) is (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(C[C@H]1COC(N)=N1)c1ccccc1.
What is the InChIKey of (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is PPONHQQJLWPUPH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1.
What are the key properties of (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25016538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).