N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H25F2N5O3 — CID 70902063

IUPACN-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCNN(C)CCN(C)c1c(F)cc(N2C[C@H](CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C17H25F2N5O3/c1-11(25)21-9-13-10-24(17(26)27-13)12-7-14(18)16(15(19)8-12)22(3)5-6-23(4)20-2/h7-8,13,20H,5-6,9-10H2,1-4H3,(H,21,25)/t13-/m0/s1
InChIKeyWYEZBEXRHKUUEQ-ZDUSSCGKSA-N
MW385.42 g/mol
LogP0.93
Rot. Bonds8

About N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70902063) has the molecular formula C17H25F2N5O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70902063
Molecular FormulaC17H25F2N5O3
Molecular Weight385.42 g/mol
Exact Mass385.19
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCNN(C)CCN(C)c1c(F)cc(N2C[C@H](CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C17H25F2N5O3/c1-11(25)21-9-13-10-24(17(26)27-13)12-7-14(18)16(15(19)8-12)22(3)5-6-23(4)20-2/h7-8,13,20H,5-6,9-10H2,1-4H3,(H,21,25)/t13-/m0/s1
InChIKeyWYEZBEXRHKUUEQ-ZDUSSCGKSA-N
XLogP0.93
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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
N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-hydroxy-3-thioniabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 153101011
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
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-(3,5-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
[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 20788928
[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 22479574
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70902063) is N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CNN(C)CCN(C)c1c(F)cc(N2C[C@H](CNC(C)=O)OC2=O)cc1F.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WYEZBEXRHKUUEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25F2N5O3/c1-11(25)21-9-13-10-24(17(26)27-13)12-7-14(18)16(15(19)8-12)22(3)5-6-23(4)20-2/h7-8,13,20H,5-6,9-10H2,1-4H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[methyl-[2-[methyl(methylamino)amino]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70902063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).