4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine

C21H26N2O2 — CID 13026107

IUPAC4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine
SMILESCC1C(c2ccccc2)OCN1CN1COC(c2ccccc2)C1C
InChIInChI=1S/C21H26N2O2/c1-16-20(18-9-5-3-6-10-18)24-14-22(16)13-23-15-25-21(17(23)2)19-11-7-4-8-12-19/h3-12,16-17,20-21H,13-15H2,1-2H3
InChIKeySOJMFARZUQHHJD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.78
Rot. Bonds4

About 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine

4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine (PubChem CID 13026107) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine
PubChem CID13026107
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine
SMILESCC1C(c2ccccc2)OCN1CN1COC(c2ccccc2)C1C
InChIInChI=1S/C21H26N2O2/c1-16-20(18-9-5-3-6-10-18)24-14-22(16)13-23-15-25-21(17(23)2)19-11-7-4-8-12-19/h3-12,16-17,20-21H,13-15H2,1-2H3
InChIKeySOJMFARZUQHHJD-UHFFFAOYSA-N
XLogP3.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine?
The IUPAC name of 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine (CID 13026107) is 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine is CC1C(c2ccccc2)OCN1CN1COC(c2ccccc2)C1C.
What is the InChIKey of 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine?
The InChIKey is SOJMFARZUQHHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-20(18-9-5-3-6-10-18)24-14-22(16)13-23-15-25-21(17(23)2)19-11-7-4-8-12-19/h3-12,16-17,20-21H,13-15H2,1-2H3.
What are the key properties of 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine?
4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine has a molecular weight of 338.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methyl]-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 13026107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).