[5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate

C22H22FN7O5 — CID 91506765

IUPAC[5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4n[nH]nc4COC(=O)CN)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H22FN7O5/c1-12(31)25-9-15-10-30(22(33)35-15)14-3-4-16(17(23)6-14)13-2-5-18(26-8-13)21-19(27-29-28-21)11-34-20(32)7-24/h2-6,8,15H,7,9-11,24H2,1H3,(H,25,31)(H,27,28,29)/t15-/m0/s1
InChIKeyWVXQRLUFEOICCA-HNNXBMFYSA-N
MW483.46 g/mol
LogP1.14
Rot. Bonds8

About [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate

[5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate (PubChem CID 91506765) has the molecular formula C22H22FN7O5 and a molecular weight of 483.46 g/mol. Its IUPAC name is [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate.

Molecular Properties

Compound Name[5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate
PubChem CID91506765
Molecular FormulaC22H22FN7O5
Molecular Weight483.46 g/mol
Exact Mass483.17
IUPAC Name[5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4n[nH]nc4COC(=O)CN)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H22FN7O5/c1-12(31)25-9-15-10-30(22(33)35-15)14-3-4-16(17(23)6-14)13-2-5-18(26-8-13)21-19(27-29-28-21)11-34-20(32)7-24/h2-6,8,15H,7,9-11,24H2,1H3,(H,25,31)(H,27,28,29)/t15-/m0/s1
InChIKeyWVXQRLUFEOICCA-HNNXBMFYSA-N
XLogP1.14
TPSA165.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate with MolForge

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Related Compounds

[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate
CID 11365411
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11365410
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11215545
[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzoyl]amino] 2-aminoacetate
CID 24993367
N-[[3-[3-fluoro-4-[6-(4-methyl-5,6-dihydro-1,2,4-oxadiazin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 77140833
N-[[(5S)-3-[3-fluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11430579
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-aminomethylidene]amino] 2-aminoacetate
CID 91462402
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
2-amino-N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58917774
[2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
CID 157371742
N-[[(5S)-3-[3-fluoro-4-[4-[5-(2H-triazol-4-yl)pentyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045452

Frequently Asked Questions

What is the IUPAC name of [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate?
The IUPAC name of [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate (CID 91506765) is [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate.
What is the SMILES notation for [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate?
The canonical SMILES for [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4n[nH]nc4COC(=O)CN)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate?
The InChIKey is WVXQRLUFEOICCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN7O5/c1-12(31)25-9-15-10-30(22(33)35-15)14-3-4-16(17(23)6-14)13-2-5-18(26-8-13)21-19(27-29-28-21)11-34-20(32)7-24/h2-6,8,15H,7,9-11,24H2,1H3,(H,25,31)(H,27,28,29)/t15-/m0/s1.
What are the key properties of [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate?
[5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate has a molecular weight of 483.46 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-2H-triazol-4-yl]methyl 2-aminoacetate is sourced from PubChem (CID 91506765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).