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

C17H20N2O6S — CID 118050868

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide
SMILESCC#Cc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H20N2O6S/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/h6-9,14,22H,10-11H2,1-3H3,(H,18,20)/t14-,17+/m0/s1
InChIKeyGYNKABFXKFEOSM-WMLDXEAASA-N
MW380.42 g/mol
LogP1.08
Rot. Bonds5

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

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide (PubChem CID 118050868) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide
PubChem CID118050868
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide
SMILESCC#Cc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C17H20N2O6S/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/h6-9,14,22H,10-11H2,1-3H3,(H,18,20)/t14-,17+/m0/s1
InChIKeyGYNKABFXKFEOSM-WMLDXEAASA-N
XLogP1.08
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.08
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'}, {'alert_name': 'triple_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-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide (CID 118050868) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-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-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide is CC#Cc1ccc(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-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is GYNKABFXKFEOSM-WMLDXEAASA-N. The full InChI is InChI=1S/C17H20N2O6S/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/h6-9,14,22H,10-11H2,1-3H3,(H,18,20)/t14-,17+/m0/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 380.42 g/mol, XLogP of 1.08, 5 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-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 118050868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).