(5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C16H15NO2 — CID 163072561

IUPAC(5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc([C@H]2CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-9-7-12(8-10-14)15-11-17-16(19-15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m1/s1
InChIKeyRMDZEGDOFYXILO-OAHLLOKOSA-N
MW253.30 g/mol
LogP3.21
Rot. Bonds3

About (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

(5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 163072561) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID163072561
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc([C@H]2CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-9-7-12(8-10-14)15-11-17-16(19-15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m1/s1
InChIKeyRMDZEGDOFYXILO-OAHLLOKOSA-N
XLogP3.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 163072561) is (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is COc1ccc([C@H]2CN=C(c3ccccc3)O2)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RMDZEGDOFYXILO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-14-9-7-12(8-10-14)15-11-17-16(19-15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m1/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 253.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 163072561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).