N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H24F2N8O5 — CID 143551816

IUPACN-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C/N(CC(=O)N1CCN(c2c(F)cc(N3CC(CNC(C)=O)OC3=O)cc2F)CCO1)/N=N/[H]
InChIInChI=1S/C19H24F2N8O5/c1-12(30)24-8-14-9-28(19(32)34-14)13-6-15(20)18(16(21)7-13)26-2-3-29(33-5-4-26)17(31)10-27(11-22)25-23/h6-7,11,14,22-23H,2-5,8-10H2,1H3,(H,24,30)/b22-11+,25-23+
InChIKeyUWHZLEYPWDPKJC-UZHLFBRFSA-N
MW482.45 g/mol
LogP0.86
Rot. Bonds8

About N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143551816) has the molecular formula C19H24F2N8O5 and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID143551816
Molecular FormulaC19H24F2N8O5
Molecular Weight482.45 g/mol
Exact Mass482.18
IUPAC NameN-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C/N(CC(=O)N1CCN(c2c(F)cc(N3CC(CNC(C)=O)OC3=O)cc2F)CCO1)/N=N/[H]
InChIInChI=1S/C19H24F2N8O5/c1-12(30)24-8-14-9-28(19(32)34-14)13-6-15(20)18(16(21)7-13)26-2-3-29(33-5-4-26)17(31)10-27(11-22)25-23/h6-7,11,14,22-23H,2-5,8-10H2,1H3,(H,24,30)/b22-11+,25-23+
InChIKeyUWHZLEYPWDPKJC-UZHLFBRFSA-N
XLogP0.86
TPSA154.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 89083126
5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-N-(5-methyl-2,3-dihydro-1,2-oxazol-3-yl)-1,2,5-oxadiazepane-2-carboxamide
CID 90243663
(5S)-3-[3,5-difluoro-4-[2-(4-fluorobutanoyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 161202931
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
N-[[(5S)-3-[3,5-difluoro-4-(2-pyridin-2-yl-1,2,5-oxadiazepan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59531582
N-[[(5S)-3-[4-[2-[2-[[(Z)-2-amino-3-hydrazinylprop-2-enyl]amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 89072815
N-[[(5S)-3-[3-fluoro-4-[2-(2-phenylacetyl)-1,2,5-oxadiazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 161140432
N-cyclopropyl-5-[2,6-difluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-1,2,5-oxadiazepane-2-carboxamide
CID 159158800
3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 22505084
methane;O-methyl 3-[(5S)-3-[4-[2-[5-[2,6-difluoro-4-[(5S)-5-(3-methoxy-3-sulfanylidenepropyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,2,5-oxadiazepane-2-carbonyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanethioate
CID 159765123
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-[2-(4-methylpiperazine-1-carbonyl)-1,2,5-oxadiazepan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 89067473

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143551816) is N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is [H]/N=C/N(CC(=O)N1CCN(c2c(F)cc(N3CC(CNC(C)=O)OC3=O)cc2F)CCO1)/N=N/[H].
What is the InChIKey of N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UWHZLEYPWDPKJC-UZHLFBRFSA-N. The full InChI is InChI=1S/C19H24F2N8O5/c1-12(30)24-8-14-9-28(19(32)34-14)13-6-15(20)18(16(21)7-13)26-2-3-29(33-5-4-26)17(31)10-27(11-22)25-23/h6-7,11,14,22-23H,2-5,8-10H2,1H3,(H,24,30)/b22-11+,25-23+.
What are the key properties of N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 482.45 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-[2-[diazenyl(methanimidoyl)amino]acetyl]-1,2,5-oxadiazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143551816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).