N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H20F2N6O3 — CID 18340252

IUPACN-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cnc(CNc4ccc(F)cn4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H20F2N6O3/c1-13(30)24-9-17-11-29(21(31)32-17)16-3-4-19(18(23)6-16)28-10-15(27-12-28)8-26-20-5-2-14(22)7-25-20/h2-7,10,12,17H,8-9,11H2,1H3,(H,24,30)(H,25,26)
InChIKeyXVDMXFIWSCBXPI-UHFFFAOYSA-N
MW442.43 g/mol
LogP2.62
Rot. Bonds7

About N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18340252) has the molecular formula C21H20F2N6O3 and a molecular weight of 442.43 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID18340252
Molecular FormulaC21H20F2N6O3
Molecular Weight442.43 g/mol
Exact Mass442.16
IUPAC NameN-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cnc(CNc4ccc(F)cn4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H20F2N6O3/c1-13(30)24-9-17-11-29(21(31)32-17)16-3-4-19(18(23)6-16)28-10-15(27-12-28)8-26-20-5-2-14(22)7-25-20/h2-7,10,12,17H,8-9,11H2,1H3,(H,24,30)(H,25,26)
InChIKeyXVDMXFIWSCBXPI-UHFFFAOYSA-N
XLogP2.62
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[3-fluoro-4-[4-[(pyrimidin-2-ylamino)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340258
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide
CID 59924346
N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21255482
N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59924368
N-[[3-[3-fluoro-4-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18378813
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-2-ylethenyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57235679
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-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22087057
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 25119487

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18340252) is N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-n3cnc(CNc4ccc(F)cn4)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XVDMXFIWSCBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O3/c1-13(30)24-9-17-11-29(21(31)32-17)16-3-4-19(18(23)6-16)28-10-15(27-12-28)8-26-20-5-2-14(22)7-25-20/h2-7,10,12,17H,8-9,11H2,1H3,(H,24,30)(H,25,26).
What are the key properties of N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 442.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18340252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).