(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide

C17H22N2O6S — CID 118051087

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
SMILESC/C=C/c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H22N2O6S/c1-4-5-12-6-8-13(9-7-12)19-11-14(25-16(19)21)10-17(2,15(20)18-22)26(3,23)24/h4-9,14,22H,10-11H2,1-3H3,(H,18,20)/b5-4+/t14-,17+/m0/s1
InChIKeyZZXOOBXYXWZTDX-PCLVQLBSSA-N
MW382.44 g/mol
LogP1.74
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide (PubChem CID 118051087) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
PubChem CID118051087
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
SMILESC/C=C/c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H22N2O6S/c1-4-5-12-6-8-13(9-7-12)19-11-14(25-16(19)21)10-17(2,15(20)18-22)26(3,23)24/h4-9,14,22H,10-11H2,1-3H3,(H,18,20)/b5-4+/t14-,17+/m0/s1
InChIKeyZZXOOBXYXWZTDX-PCLVQLBSSA-N
XLogP1.74
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide (CID 118051087) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide is C/C=C/c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is ZZXOOBXYXWZTDX-PCLVQLBSSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-4-5-12-6-8-13(9-7-12)19-11-14(25-16(19)21)10-17(2,15(20)18-22)26(3,23)24/h4-9,14,22H,10-11H2,1-3H3,(H,18,20)/b5-4+/t14-,17+/m0/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 382.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 118051087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).