(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide

C23H30N2O7S — CID 118059204

IUPAC(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(O)C1CC(C#Cc2ccc(N3C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC3=O)cc2)C1
InChIInChI=1S/C23H30N2O7S/c1-22(2,28)17-11-16(12-17)6-5-15-7-9-18(10-8-15)25-14-19(32-21(25)27)13-23(3,20(26)24-29)33(4,30)31/h7-10,16-17,19,28-29H,11-14H2,1-4H3,(H,24,26)/t16?,17?,19-,23+/m0/s1
InChIKeyFNHARUFRDKHNCD-RVOGGRCYSA-N
MW478.57 g/mol
LogP1.86
Rot. Bonds6

About (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide

(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118059204) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID118059204
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC Name(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(O)C1CC(C#Cc2ccc(N3C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC3=O)cc2)C1
InChIInChI=1S/C23H30N2O7S/c1-22(2,28)17-11-16(12-17)6-5-15-7-9-18(10-8-15)25-14-19(32-21(25)27)13-23(3,20(26)24-29)33(4,30)31/h7-10,16-17,19,28-29H,11-14H2,1-4H3,(H,24,26)/t16?,17?,19-,23+/m0/s1
InChIKeyFNHARUFRDKHNCD-RVOGGRCYSA-N
XLogP1.86
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide (CID 118059204) is (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(O)C1CC(C#Cc2ccc(N3C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC3=O)cc2)C1.
What is the InChIKey of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is FNHARUFRDKHNCD-RVOGGRCYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-22(2,28)17-11-16(12-17)6-5-15-7-9-18(10-8-15)25-14-19(32-21(25)27)13-23(3,20(26)24-29)33(4,30)31/h7-10,16-17,19,28-29H,11-14H2,1-4H3,(H,24,26)/t16?,17?,19-,23+/m0/s1.
What are the key properties of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 478.57 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118059204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).