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

C22H27FN2O7S — CID 118050757

IUPAC(2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide
SMILESCC#Cc1ccc(N2CC(C[C@](C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)OC2=O)cc1F
InChIInChI=1S/C22H27FN2O7S/c1-4-7-15-9-10-16(12-18(15)23)25-14-17(31-21(25)27)13-22(2,33(3,28)29)20(26)24-32-19-8-5-6-11-30-19/h9-10,12,17,19H,5-6,8,11,13-14H2,1-3H3,(H,24,26)/t17?,19?,22-/m1/s1
InChIKeyKAAOZVYNKNBCBU-RKOYOZNISA-N
MW482.53 g/mol
LogP2.29
Rot. Bonds7

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

(2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide (PubChem CID 118050757) has the molecular formula C22H27FN2O7S and a molecular weight of 482.53 g/mol. Its IUPAC name is (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide
PubChem CID118050757
Molecular FormulaC22H27FN2O7S
Molecular Weight482.53 g/mol
Exact Mass482.15
IUPAC Name(2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide
SMILESCC#Cc1ccc(N2CC(C[C@](C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)OC2=O)cc1F
InChIInChI=1S/C22H27FN2O7S/c1-4-7-15-9-10-16(12-18(15)23)25-14-17(31-21(25)27)13-22(2,33(3,28)29)20(26)24-32-19-8-5-6-11-30-19/h9-10,12,17,19H,5-6,8,11,13-14H2,1-3H3,(H,24,26)/t17?,19?,22-/m1/s1
InChIKeyKAAOZVYNKNBCBU-RKOYOZNISA-N
XLogP2.29
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide with MolForge

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Related Compounds

ethyl (2R)-3-[(5S)-3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
CID 118059184
(2R)-3-[3-[4-[2-(3-hydroxy-3-methylcyclobutyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide
CID 118050937
(2R)-3-[3-(4-bromo-2-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide
CID 118050471
3-[3-[4-(2-cyclopropylethynyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050897
ethyl 2-methyl-3-[(5S)-3-(3-methyl-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanoate
CID 118050566
3-[3-(2,3-difluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050604
3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050574
(2R)-3-[(5S)-3-(4-bromo-2,6-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051064
3-[3-(4-but-2-ynoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051005
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[3-(oxolan-3-yl)prop-1-ynyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118051006
(2R)-N-hydroxy-3-[(5S)-3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118051026
3-[3-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 123633355

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide?
The IUPAC name of (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide (CID 118050757) is (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide.
What is the SMILES notation for (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide?
The canonical SMILES for (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide is CC#Cc1ccc(N2CC(C[C@](C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)OC2=O)cc1F.
What is the InChIKey of (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide?
The InChIKey is KAAOZVYNKNBCBU-RKOYOZNISA-N. The full InChI is InChI=1S/C22H27FN2O7S/c1-4-7-15-9-10-16(12-18(15)23)25-14-17(31-21(25)27)13-22(2,33(3,28)29)20(26)24-32-19-8-5-6-11-30-19/h9-10,12,17,19H,5-6,8,11,13-14H2,1-3H3,(H,24,26)/t17?,19?,22-/m1/s1.
What are the key properties of (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide?
(2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide has a molecular weight of 482.53 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(3-fluoro-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)propanamide is sourced from PubChem (CID 118050757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).