(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C19H20FN3O4 — CID 143639048

IUPAC(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3F)C2)nc1
InChIInChI=1S/C19H20FN3O4/c20-16-3-1-2-4-17(16)26-14-7-8-22(10-14)18-6-5-13(9-21-18)23-11-15(12-24)27-19(23)25/h1-6,9,14-15,24H,7-8,10-12H2/t14?,15-/m0/s1
InChIKeyRUENYXCLAYUBAB-LOACHALJSA-N
MW373.38 g/mol
LogP2.20
Rot. Bonds5

About (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 143639048) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID143639048
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3F)C2)nc1
InChIInChI=1S/C19H20FN3O4/c20-16-3-1-2-4-17(16)26-14-7-8-22(10-14)18-6-5-13(9-21-18)23-11-15(12-24)27-19(23)25/h1-6,9,14-15,24H,7-8,10-12H2/t14?,15-/m0/s1
InChIKeyRUENYXCLAYUBAB-LOACHALJSA-N
XLogP2.20
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 24997055
3-[6-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 143639052
[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl] N-benzylcarbamate
CID 90928713
3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol
CID 68807009
(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 24996417
3-[6-[4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 71120832
3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 71120857
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
O-methyl N-[[(5S)-2-oxo-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 11552073
2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
CID 71120836
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 143639048) is (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3F)C2)nc1.
What is the InChIKey of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is RUENYXCLAYUBAB-LOACHALJSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-16-3-1-2-4-17(16)26-14-7-8-22(10-14)18-6-5-13(9-21-18)23-11-15(12-24)27-19(23)25/h1-6,9,14-15,24H,7-8,10-12H2/t14?,15-/m0/s1.
What are the key properties of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 373.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143639048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).