N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C15H16FN3O4S — CID 20616698

IUPACN-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILES[C-]#[N+]C1(c2ccc(N3CC(CNS(C)(=O)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C15H16FN3O4S/c1-17-15(5-6-15)12-4-3-10(7-13(12)16)19-9-11(23-14(19)20)8-18-24(2,21)22/h3-4,7,11,18H,5-6,8-9H2,2H3
InChIKeyWCMPZBGDKAVLRL-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.61
Rot. Bonds5

About N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 20616698) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID20616698
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC NameN-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILES[C-]#[N+]C1(c2ccc(N3CC(CNS(C)(=O)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C15H16FN3O4S/c1-17-15(5-6-15)12-4-3-10(7-13(12)16)19-9-11(23-14(19)20)8-18-24(2,21)22/h3-4,7,11,18H,5-6,8-9H2,2H3
InChIKeyWCMPZBGDKAVLRL-UHFFFAOYSA-N
XLogP1.61
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 20616657
N-[[(5S)-3-[4-(1-isocyanocyclopropyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59120534
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 126496005
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 135148547
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110328314
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
N-[[(5S)-3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 59120577

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 20616698) is N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is [C-]#[N+]C1(c2ccc(N3CC(CNS(C)(=O)=O)OC3=O)cc2F)CC1.
What is the InChIKey of N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is WCMPZBGDKAVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-17-15(5-6-15)12-4-3-10(7-13(12)16)19-9-11(23-14(19)20)8-18-24(2,21)22/h3-4,7,11,18H,5-6,8-9H2,2H3.
What are the key properties of N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 353.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 20616698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).