N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C18H19FN4O4 — CID 54238701

IUPACN-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCON=Cc1ccn(-c2ccc(N3C(=O)OC[C@@H]3CNC(C)=O)cc2F)c1
InChIInChI=1S/C18H19FN4O4/c1-12(24)20-9-15-11-27-18(25)23(15)14-3-4-17(16(19)7-14)22-6-5-13(10-22)8-21-26-2/h3-8,10,15H,9,11H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyQOKYABNNWRQGKZ-HNNXBMFYSA-N
MW374.37 g/mol
LogP2.06
Rot. Bonds6

About N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 54238701) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID54238701
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCON=Cc1ccn(-c2ccc(N3C(=O)OC[C@@H]3CNC(C)=O)cc2F)c1
InChIInChI=1S/C18H19FN4O4/c1-12(24)20-9-15-11-27-18(25)23(15)14-3-4-17(16(19)7-14)22-6-5-13(10-22)8-21-26-2/h3-8,10,15H,9,11H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyQOKYABNNWRQGKZ-HNNXBMFYSA-N
XLogP2.06
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[3-[(E)-methoxyiminomethyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10714429
N-[[(5S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54069801
N-[[(4S)-3-[3-fluoro-4-(4-nitrosopiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54525233
N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54226334
N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 57179456
N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57254284
N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 91082350
N-[[(5S)-3-[3-fluoro-4-[3-[(E)-N'-hydroxycarbamimidoyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050343
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]ethanethioamide
CID 90729376
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050036

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 54238701) is N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CON=Cc1ccn(-c2ccc(N3C(=O)OC[C@@H]3CNC(C)=O)cc2F)c1.
What is the InChIKey of N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is QOKYABNNWRQGKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-12(24)20-9-15-11-27-18(25)23(15)14-3-4-17(16(19)7-14)22-6-5-13(10-22)8-21-26-2/h3-8,10,15H,9,11H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 374.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 54238701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).