(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole

C18H19NO2 — CID 143838763

IUPAC(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](CCOc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H19NO2/c1-14-13-18(21-19-14)11-12-20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3/t18-/m1/s1
InChIKeyDUOOCCGNPOVRQO-GOSISDBHSA-N
MW281.36 g/mol
LogP4.29
Rot. Bonds5

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

(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole (PubChem CID 143838763) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole
PubChem CID143838763
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](CCOc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H19NO2/c1-14-13-18(21-19-14)11-12-20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3/t18-/m1/s1
InChIKeyDUOOCCGNPOVRQO-GOSISDBHSA-N
XLogP4.29
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole (CID 143838763) is (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole is CC1=NO[C@H](CCOc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is DUOOCCGNPOVRQO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-13-18(21-19-14)11-12-20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3/t18-/m1/s1.
What are the key properties of (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 281.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143838763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).