[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate

C22H24FN7O4 — CID 58917767

IUPAC[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)OCC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24FN7O4/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-27-28-29(20)3/h4-9,12,15,19H,10-11,24H2,1-3H3/t15?,19-/m1/s1
InChIKeyBRIFNBHXAVVKRO-XCWJXAQQSA-N
MW469.48 g/mol
LogP1.93
Rot. Bonds7

About [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate

[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate (PubChem CID 58917767) has the molecular formula C22H24FN7O4 and a molecular weight of 469.48 g/mol. Its IUPAC name is [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate
PubChem CID58917767
Molecular FormulaC22H24FN7O4
Molecular Weight469.48 g/mol
Exact Mass469.19
IUPAC Name[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)OCC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24FN7O4/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-27-28-29(20)3/h4-9,12,15,19H,10-11,24H2,1-3H3/t15?,19-/m1/s1
InChIKeyBRIFNBHXAVVKRO-XCWJXAQQSA-N
XLogP1.93
TPSA138.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate with MolForge

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Related Compounds

3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370
[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 67238790
disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
CID 58917772
[3-[[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-oxopropyl]azanium;trifluoromethanesulfonate
CID 157272396
[(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;2,2,2-trifluoroacetic acid
CID 11786591
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041
[(2S)-1-[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 59515984
[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate
CID 152722304
[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 72783304
bis[[(5R)-3-[3-fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] carbonate
CID 121378684
disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate
CID 54586062
[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 90952047

Frequently Asked Questions

What is the IUPAC name of [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate?
The IUPAC name of [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate (CID 58917767) is [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate.
What is the SMILES notation for [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate?
The canonical SMILES for [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate is CC(C)[C@@H](N)C(=O)OCC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate?
The InChIKey is BRIFNBHXAVVKRO-XCWJXAQQSA-N. The full InChI is InChI=1S/C22H24FN7O4/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-27-28-29(20)3/h4-9,12,15,19H,10-11,24H2,1-3H3/t15?,19-/m1/s1.
What are the key properties of [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate?
[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate has a molecular weight of 469.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate is sourced from PubChem (CID 58917767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).