2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine

C16H17NO2 — CID 82482241

IUPAC2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine
SMILESCC1NCC(c2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C16H17NO2/c1-12-17-11-16(18-12)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3
InChIKeyPXDYLFOQBRBWHB-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.49
Rot. Bonds3

About 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine

2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine (PubChem CID 82482241) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine
PubChem CID82482241
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine
SMILESCC1NCC(c2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C16H17NO2/c1-12-17-11-16(18-12)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3
InChIKeyPXDYLFOQBRBWHB-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine?
The IUPAC name of 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine (CID 82482241) is 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine is CC1NCC(c2ccc(Oc3ccccc3)cc2)O1.
What is the InChIKey of 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine?
The InChIKey is PXDYLFOQBRBWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-17-11-16(18-12)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine?
2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine has a molecular weight of 255.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 82482241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).