(4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one

C19H17FN2O3 — CID 133081516

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCOCCC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-24-8-3-2-5-13-9-15(12-21-11-13)17-18(25-19(23)22-17)14-6-4-7-16(20)10-14/h4,6-7,9-12,17-18H,3,8H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyWSJUGLLPJVCZKL-QZTJIDSGSA-N
MW340.35 g/mol
LogP3.13
Rot. Bonds4

About (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 133081516) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID133081516
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCOCCC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-24-8-3-2-5-13-9-15(12-21-11-13)17-18(25-19(23)22-17)14-6-4-7-16(20)10-14/h4,6-7,9-12,17-18H,3,8H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyWSJUGLLPJVCZKL-QZTJIDSGSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Bms-984923
CID 69084898
(4R,5R)-5-(3-Fluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 69081596
(4R,5R)-5-(4-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69082917
(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69083983
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69085788
(4R,5R)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69092896
(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093997
(4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 57330204
(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(5-fluoro-3-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69084420
(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 69086317
(4R,5R)-5-(2,3-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093210
(4R,5R)-5-Phenyl-4-(2-(phenylethynyl)pyridin-4-yl)oxazolidin-2-one
CID 69093438

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 133081516) is (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is COCCC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is WSJUGLLPJVCZKL-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-24-8-3-2-5-13-9-15(12-21-11-13)17-18(25-19(23)22-17)14-6-4-7-16(20)10-14/h4,6-7,9-12,17-18H,3,8H2,1H3,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 340.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-fluorophenyl)-4-[5-(4-methoxybut-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133081516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).