4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

C19H22N2O2 — CID 85273761

IUPAC4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
SMILESc1ccc(C2COCN2CN2COCC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-14-20(18)13-21-15-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyJOTUQIBIYNLSTJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds4

About 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine (PubChem CID 85273761) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
PubChem CID85273761
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
SMILESc1ccc(C2COCN2CN2COCC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-14-20(18)13-21-15-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyJOTUQIBIYNLSTJ-UHFFFAOYSA-N
XLogP3.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
Bis(5-phenyl-1,3-oxazolidin-3-yl)methane
CID 10018284
(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
CID 14874965
5,10-Diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
CID 14874966
(4R)-3-benzyl-4-phenyl-1,3-oxazolidin-2-one
CID 11357228
phenyl N-benzyloxazolidinone
CID 14091547
4-Methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine
CID 13026107
(3R,5S,8aR)-3-phenyl-5-propyl-3,5,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10634007
(3R,5S,8aR)-5-methyl-3-phenyl-3,5,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10703894
(3R,5S,8aR)-5-ethenyl-3-phenyl-3,5,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10751779

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine (CID 85273761) is 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine is c1ccc(C2COCN2CN2COCC2c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
The InChIKey is JOTUQIBIYNLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-14-20(18)13-21-15-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2.
What are the key properties of 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine?
4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine has a molecular weight of 310.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 85273761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).