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

C18H20N2O2 — CID 67060022

IUPAC(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1ccccc1-c1ccc(OC[C@@H]2CN=C(N)O2)cc1
InChIInChI=1S/C18H20N2O2/c1-2-13-5-3-4-6-17(13)14-7-9-15(10-8-14)21-12-16-11-20-18(19)22-16/h3-10,16H,2,11-12H2,1H3,(H2,19,20)/t16-/m0/s1
InChIKeyVGFGKKKNHJKBAV-INIZCTEOSA-N
MW296.37 g/mol
LogP3.01
Rot. Bonds5

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

(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67060022) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67060022
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1ccccc1-c1ccc(OC[C@@H]2CN=C(N)O2)cc1
InChIInChI=1S/C18H20N2O2/c1-2-13-5-3-4-6-17(13)14-7-9-15(10-8-14)21-12-16-11-20-18(19)22-16/h3-10,16H,2,11-12H2,1H3,(H2,19,20)/t16-/m0/s1
InChIKeyVGFGKKKNHJKBAV-INIZCTEOSA-N
XLogP3.01
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67060022) is (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCc1ccccc1-c1ccc(OC[C@@H]2CN=C(N)O2)cc1.
What is the InChIKey of (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is VGFGKKKNHJKBAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-13-5-3-4-6-17(13)14-7-9-15(10-8-14)21-12-16-11-20-18(19)22-16/h3-10,16H,2,11-12H2,1H3,(H2,19,20)/t16-/m0/s1.
What are the key properties of (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 296.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67060022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).