(5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol

C19H21FN2O5S — CID 155004548

IUPAC(5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol
SMILESO=S(=O)(c1ccc(-c2ccc(N3C[C@H](CO)OC3O)cc2F)cc1)N1CCC1
InChIInChI=1S/C19H21FN2O5S/c20-18-10-14(22-11-15(12-23)27-19(22)24)4-7-17(18)13-2-5-16(6-3-13)28(25,26)21-8-1-9-21/h2-7,10,15,19,23-24H,1,8-9,11-12H2/t15-,19?/m1/s1
InChIKeyZAIQJCRBUBGLFH-NYRJJRHWSA-N
MW408.45 g/mol
LogP1.36
Rot. Bonds5

About (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol

(5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol (PubChem CID 155004548) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol.

Molecular Properties

Compound Name(5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol
PubChem CID155004548
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name(5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol
SMILESO=S(=O)(c1ccc(-c2ccc(N3C[C@H](CO)OC3O)cc2F)cc1)N1CCC1
InChIInChI=1S/C19H21FN2O5S/c20-18-10-14(22-11-15(12-23)27-19(22)24)4-7-17(18)13-2-5-16(6-3-13)28(25,26)21-8-1-9-21/h2-7,10,15,19,23-24H,1,8-9,11-12H2/t15-,19?/m1/s1
InChIKeyZAIQJCRBUBGLFH-NYRJJRHWSA-N
XLogP1.36
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol with MolForge

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Related Compounds

(2R)-3-[3,5-difluoro-4-(1,5-thiazocan-5-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol
CID 126483830
1-[[3-(bromomethyl)-2-fluoro-6H-benzo[c]chromen-8-yl]sulfonyl]azetidine
CID 171048783
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174688425
[(8S,9S,10R)-9-[4-(2-fluorophenyl)phenyl]-6-(4-fluorophenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
CID 54669319
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113081413
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol?
The IUPAC name of (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol (CID 155004548) is (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol.
What is the SMILES notation for (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol?
The canonical SMILES for (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol is O=S(=O)(c1ccc(-c2ccc(N3C[C@H](CO)OC3O)cc2F)cc1)N1CCC1.
What is the InChIKey of (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol?
The InChIKey is ZAIQJCRBUBGLFH-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c20-18-10-14(22-11-15(12-23)27-19(22)24)4-7-17(18)13-2-5-16(6-3-13)28(25,26)21-8-1-9-21/h2-7,10,15,19,23-24H,1,8-9,11-12H2/t15-,19?/m1/s1.
What are the key properties of (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol?
(5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol has a molecular weight of 408.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-ol is sourced from PubChem (CID 155004548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).