(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

C21H17FN2O3 — CID 69281889

IUPAC(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccc(F)nc3)c2)c1
InChIInChI=1S/C21H17FN2O3/c1-26-17-7-3-6-15(11-17)20-19(24-21(25)27-20)14-5-2-4-13(10-14)16-8-9-18(22)23-12-16/h2-12,19-20H,1H3,(H,24,25)/t19-,20-/m1/s1
InChIKeyJGPDEWNQXBQHRA-WOJBJXKFSA-N
MW364.38 g/mol
LogP4.42
Rot. Bonds4

About (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 69281889) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID69281889
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccc(F)nc3)c2)c1
InChIInChI=1S/C21H17FN2O3/c1-26-17-7-3-6-15(11-17)20-19(24-21(25)27-20)14-5-2-4-13(10-14)16-8-9-18(22)23-12-16/h2-12,19-20H,1H3,(H,24,25)/t19-,20-/m1/s1
InChIKeyJGPDEWNQXBQHRA-WOJBJXKFSA-N
XLogP4.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 69281903
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-oxazolidin-2-one
CID 69281800
(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 70958057
(4R,5R)-5-(3-methoxyphenyl)-4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 70958507
(4R,5S)-4-(3-bromophenyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69083647
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 69282100
3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
CID 69281890
(4R,5R)-4-[3-[2-(4-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093536
(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 86673405
(4R,5R)-4-[3-[2-(3-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093599
(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 70958315
(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 144623707

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (CID 69281889) is (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccc(F)nc3)c2)c1.
What is the InChIKey of (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is JGPDEWNQXBQHRA-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-26-17-7-3-6-15(11-17)20-19(24-21(25)27-20)14-5-2-4-13(10-14)16-8-9-18(22)23-12-16/h2-12,19-20H,1H3,(H,24,25)/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 364.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69281889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).