(5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one

C16H16N2O2 — CID 44591792

IUPAC(5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)C(=O)O1
InChIInChI=1S/C16H16N2O2/c1-12-10-18(16(19)20-12)11-13-4-6-14(7-5-13)15-3-2-8-17-9-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyMSFXHUHCIVALKI-GFCCVEGCSA-N
MW268.32 g/mol
LogP3.09
Rot. Bonds3

About (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one

(5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 44591792) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID44591792
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)C(=O)O1
InChIInChI=1S/C16H16N2O2/c1-12-10-18(16(19)20-12)11-13-4-6-14(7-5-13)15-3-2-8-17-9-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyMSFXHUHCIVALKI-GFCCVEGCSA-N
XLogP3.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one (CID 44591792) is (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3cccnc3)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MSFXHUHCIVALKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-10-18(16(19)20-12)11-13-4-6-14(7-5-13)15-3-2-8-17-9-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one?
(5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 268.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).