(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one

C20H17N3O3 — CID 70958057

IUPAC(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccncn3)c2)c1
InChIInChI=1S/C20H17N3O3/c1-25-16-7-3-6-15(11-16)19-18(23-20(24)26-19)14-5-2-4-13(10-14)17-8-9-21-12-22-17/h2-12,18-19H,1H3,(H,23,24)/t18-,19-/m1/s1
InChIKeyOKHOJLSGFRHRBF-RTBURBONSA-N
MW347.37 g/mol
LogP3.67
Rot. Bonds4

About (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one

(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 70958057) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID70958057
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccncn3)c2)c1
InChIInChI=1S/C20H17N3O3/c1-25-16-7-3-6-15(11-16)19-18(23-20(24)26-19)14-5-2-4-13(10-14)17-8-9-21-12-22-17/h2-12,18-19H,1H3,(H,23,24)/t18-,19-/m1/s1
InChIKeyOKHOJLSGFRHRBF-RTBURBONSA-N
XLogP3.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 70958057) is (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one is COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccncn3)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is OKHOJLSGFRHRBF-RTBURBONSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-16-7-3-6-15(11-16)19-18(23-20(24)26-19)14-5-2-4-13(10-14)17-8-9-21-12-22-17/h2-12,18-19H,1H3,(H,23,24)/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70958057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).