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

C19H17FN2O3 — CID 133081527

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCC(O)C#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-2-16(23)7-6-12-8-14(11-21-10-12)17-18(25-19(24)22-17)13-4-3-5-15(20)9-13/h3-5,8-11,16-18,23H,2H2,1H3,(H,22,24)/t16?,17-,18-/m1/s1
InChIKeyGGCRGFFQCOMJPW-UKKPGEIXSA-N
MW340.35 g/mol
LogP2.87
Rot. Bonds3

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

(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 133081527) 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-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID133081527
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCC(O)C#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-2-16(23)7-6-12-8-14(11-21-10-12)17-18(25-19(24)22-17)13-4-3-5-15(20)9-13/h3-5,8-11,16-18,23H,2H2,1H3,(H,22,24)/t16?,17-,18-/m1/s1
InChIKeyGGCRGFFQCOMJPW-UKKPGEIXSA-N
XLogP2.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.87
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-hydroxypent-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-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 133081527) is (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is CCC(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-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is GGCRGFFQCOMJPW-UKKPGEIXSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-16(23)7-6-12-8-14(11-21-10-12)17-18(25-19(24)22-17)13-4-3-5-15(20)9-13/h3-5,8-11,16-18,23H,2H2,1H3,(H,22,24)/t16?,17-,18-/m1/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[5-(3-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 340.35 g/mol, XLogP of 2.87, 3 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-hydroxypent-1-ynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133081527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).