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

C21H21FN2O3 — CID 133081551

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCCCC(O)C#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C21H21FN2O3/c1-2-3-7-18(25)9-8-14-10-16(13-23-12-14)19-20(27-21(26)24-19)15-5-4-6-17(22)11-15/h4-6,10-13,18-20,25H,2-3,7H2,1H3,(H,24,26)/t18?,19-,20-/m1/s1
InChIKeyMWNXCQHLLJIHRD-FXJNCMGBSA-N
MW368.41 g/mol
LogP3.65
Rot. Bonds5

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

(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 133081551) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID133081551
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCCCC(O)C#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C21H21FN2O3/c1-2-3-7-18(25)9-8-14-10-16(13-23-12-14)19-20(27-21(26)24-19)15-5-4-6-17(22)11-15/h4-6,10-13,18-20,25H,2-3,7H2,1H3,(H,24,26)/t18?,19-,20-/m1/s1
InChIKeyMWNXCQHLLJIHRD-FXJNCMGBSA-N
XLogP3.65
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 133081551) is (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is CCCCC(O)C#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is MWNXCQHLLJIHRD-FXJNCMGBSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-2-3-7-18(25)9-8-14-10-16(13-23-12-14)19-20(27-21(26)24-19)15-5-4-6-17(22)11-15/h4-6,10-13,18-20,25H,2-3,7H2,1H3,(H,24,26)/t18?,19-,20-/m1/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 368.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxyhept-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133081551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).