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

C21H20FN5O3 — CID 11625678

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ccnn4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H20FN5O3/c1-14(28)23-11-18-13-27(21(29)30-18)17-6-7-19(20(22)10-17)16-4-2-15(3-5-16)12-26-9-8-24-25-26/h2-10,18H,11-13H2,1H3,(H,23,28)/t18-/m0/s1
InChIKeyYYIPDVZMBORVLM-SFHVURJKSA-N
MW409.42 g/mol
LogP2.59
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11625678) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11625678
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ccnn4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H20FN5O3/c1-14(28)23-11-18-13-27(21(29)30-18)17-6-7-19(20(22)10-17)16-4-2-15(3-5-16)12-26-9-8-24-25-26/h2-10,18H,11-13H2,1H3,(H,23,28)/t18-/m0/s1
InChIKeyYYIPDVZMBORVLM-SFHVURJKSA-N
XLogP2.59
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Radezolid
CID 11224409
N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11441235
N-[3-(2-Fluoro-4'-{[(1H-[1,2,3]triazol-4-ylmethyl)-amino]-methyl}-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 22274119
N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404000
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
Radezolid Hydrochloride
CID 44148951
(5R)-3-[4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105383
Acetamide, N-(((5S)-3-(3-fluoro-4-(1H-1,2,3-triazol-1-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-
CID 10567624
(1R,5S)-6-[2-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11202813
(1S,5R)-6-[2,6-difluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11465761
N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11697207
(1R,5S)-6-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11775117

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11625678) is N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ccnn4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YYIPDVZMBORVLM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-14(28)23-11-18-13-27(21(29)30-18)17-6-7-19(20(22)10-17)16-4-2-15(3-5-16)12-26-9-8-24-25-26/h2-10,18H,11-13H2,1H3,(H,23,28)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 409.42 g/mol, XLogP of 2.59, 6 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-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11625678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).