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

C18H18FN7O3 — CID 68773382

IUPACN-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3cn(Cc4cnc[nH]4)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FN7O3/c1-11(27)21-6-14-8-26(18(28)29-14)13-2-3-15(16(19)4-13)17-9-25(24-23-17)7-12-5-20-10-22-12/h2-5,9-10,14H,6-8H2,1H3,(H,20,22)(H,21,27)
InChIKeyAXZYYGFXGPWTIY-UHFFFAOYSA-N
MW399.39 g/mol
LogP1.32
Rot. Bonds6

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

N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68773382) has the molecular formula C18H18FN7O3 and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID68773382
Molecular FormulaC18H18FN7O3
Molecular Weight399.39 g/mol
Exact Mass399.15
IUPAC NameN-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3cn(Cc4cnc[nH]4)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FN7O3/c1-11(27)21-6-14-8-26(18(28)29-14)13-2-3-15(16(19)4-13)17-9-25(24-23-17)7-12-5-20-10-22-12/h2-5,9-10,14H,6-8H2,1H3,(H,20,22)(H,21,27)
InChIKeyAXZYYGFXGPWTIY-UHFFFAOYSA-N
XLogP1.32
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1H-imidazole-5-carboxamide
CID 10099172
N-[[(5S)-3-[4-[4-[[bis(1H-imidazol-5-ylmethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403845
4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide
CID 23404153
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11632716
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11655445
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68773382) is N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3cn(Cc4cnc[nH]4)nn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AXZYYGFXGPWTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O3/c1-11(27)21-6-14-8-26(18(28)29-14)13-2-3-15(16(19)4-13)17-9-25(24-23-17)7-12-5-20-10-22-12/h2-5,9-10,14H,6-8H2,1H3,(H,20,22)(H,21,27).
What are the key properties of N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 399.39 g/mol, XLogP of 1.32, 6 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-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68773382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).