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

C17H18N2O2 — CID 45102368

IUPAC(4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2cccc(-c3ccccc3)c2)CO1
InChIInChI=1S/C17H18N2O2/c18-17-19-15(12-21-17)9-10-20-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2,(H2,18,19)/t15-/m0/s1
InChIKeyDGCPCSKRPLCHTK-HNNXBMFYSA-N
MW282.34 g/mol
LogP2.84
Rot. Bonds5

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

(4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45102368) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45102368
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2cccc(-c3ccccc3)c2)CO1
InChIInChI=1S/C17H18N2O2/c18-17-19-15(12-21-17)9-10-20-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2,(H2,18,19)/t15-/m0/s1
InChIKeyDGCPCSKRPLCHTK-HNNXBMFYSA-N
XLogP2.84
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45102368) is (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCOc2cccc(-c3ccccc3)c2)CO1.
What is the InChIKey of (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is DGCPCSKRPLCHTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-17-19-15(12-21-17)9-10-20-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2,(H2,18,19)/t15-/m0/s1.
What are the key properties of (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 282.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-phenylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45102368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).