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

C14H20N2O2 — CID 45102310

IUPAC(4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)c1cccc(OCC[C@H]2COC(N)=N2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-4-3-5-13(8-11)17-7-6-12-9-18-14(15)16-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H2,15,16)/t12-/m0/s1
InChIKeyXMMUUTGZESCRJU-LBPRGKRZSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds5

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

(4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45102310) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45102310
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)c1cccc(OCC[C@H]2COC(N)=N2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-4-3-5-13(8-11)17-7-6-12-9-18-14(15)16-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H2,15,16)/t12-/m0/s1
InChIKeyXMMUUTGZESCRJU-LBPRGKRZSA-N
XLogP2.29
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
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-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45102310) is (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C)c1cccc(OCC[C@H]2COC(N)=N2)c1.
What is the InChIKey of (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is XMMUUTGZESCRJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)11-4-3-5-13(8-11)17-7-6-12-9-18-14(15)16-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H2,15,16)/t12-/m0/s1.
What are the key properties of (4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.29, 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-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45102310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).