N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H25FN4O4 — CID 15978506

IUPACN-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCON=C1C2CN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC1(C)C2
InChIInChI=1S/C20H25FN4O4/c1-12(26)22-8-15-10-25(19(27)29-15)14-4-5-17(16(21)6-14)24-9-13-7-20(2,11-24)18(13)23-28-3/h4-6,13,15H,7-11H2,1-3H3,(H,22,26)/t13?,15-,20?/m0/s1
InChIKeyQNWQXBBXTSTOQE-LXDLAPCHSA-N
MW404.44 g/mol
LogP2.14
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15978506) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID15978506
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCON=C1C2CN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC1(C)C2
InChIInChI=1S/C20H25FN4O4/c1-12(26)22-8-15-10-25(19(27)29-15)14-4-5-17(16(21)6-14)24-9-13-7-20(2,11-24)18(13)23-28-3/h4-6,13,15H,7-11H2,1-3H3,(H,22,26)/t13?,15-,20?/m0/s1
InChIKeyQNWQXBBXTSTOQE-LXDLAPCHSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-[3-(methoxymethylidene)azetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197464
N-[[3-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67692426
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-(3a,6a-dimethyl-2-oxo-1,3,4,6-tetrahydropyrrolo[3,4-d]imidazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155725001
N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57254284
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[3-fluoro-4-(2-methyl-6-azaspiro[2.5]octan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70883888
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15978506) is N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CON=C1C2CN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC1(C)C2.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QNWQXBBXTSTOQE-LXDLAPCHSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-12(26)22-8-15-10-25(19(27)29-15)14-4-5-17(16(21)6-14)24-9-13-7-20(2,11-24)18(13)23-28-3/h4-6,13,15H,7-11H2,1-3H3,(H,22,26)/t13?,15-,20?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 404.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(6-methoxyimino-1-methyl-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15978506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).