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

C11H13ClN2O2 — CID 45102234

IUPAC(4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2cccc(Cl)c2)CO1
InChIInChI=1S/C11H13ClN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
InChIKeyHUBIWCRRHSNUQF-VIFPVBQESA-N
MW240.69 g/mol
LogP1.82
Rot. Bonds4

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

(4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45102234) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45102234
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2cccc(Cl)c2)CO1
InChIInChI=1S/C11H13ClN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
InChIKeyHUBIWCRRHSNUQF-VIFPVBQESA-N
XLogP1.82
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.82
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-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45102234) is (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCOc2cccc(Cl)c2)CO1.
What is the InChIKey of (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HUBIWCRRHSNUQF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1.
What are the key properties of (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 240.69 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-chlorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45102234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).