(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one

C20H16N2O2 — CID 70958315

IUPAC(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(-c3ccccc3)c2)[C@@H](c2ccncc2)O1
InChIInChI=1S/C20H16N2O2/c23-20-22-18(19(24-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13,18-19H,(H,22,23)/t18-,19-/m1/s1
InChIKeyGKXOTLRTKIVJCP-RTBURBONSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds3

About (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one

(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one (PubChem CID 70958315) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
PubChem CID70958315
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(-c3ccccc3)c2)[C@@H](c2ccncc2)O1
InChIInChI=1S/C20H16N2O2/c23-20-22-18(19(24-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13,18-19H,(H,22,23)/t18-,19-/m1/s1
InChIKeyGKXOTLRTKIVJCP-RTBURBONSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one (CID 70958315) is (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(-c3ccccc3)c2)[C@@H](c2ccncc2)O1.
What is the InChIKey of (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one?
The InChIKey is GKXOTLRTKIVJCP-RTBURBONSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20-22-18(19(24-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13,18-19H,(H,22,23)/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one?
(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).