4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one

C16H15NO2 — CID 170381802

IUPAC4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C16H15NO2/c18-16-17-15(11-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,17,18)
InChIKeyAKYVAGSDXXKZIE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.00
Rot. Bonds3

About 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one

4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 170381802) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID170381802
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C16H15NO2/c18-16-17-15(11-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,17,18)
InChIKeyAKYVAGSDXXKZIE-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one (CID 170381802) is 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is AKYVAGSDXXKZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16-17-15(11-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,17,18).
What are the key properties of 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one?
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170381802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).