[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride

C20H23ClFN7O2 — CID 169429223

IUPAC[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride
SMILESCCCCn1nnc(-c2ccc(-c3ccc(N4C[C@H](C[NH3+])OC4=O)cc3F)cn2)n1.[Cl-]
InChIInChI=1S/C20H22FN7O2.ClH/c1-2-3-8-28-25-19(24-26-28)18-7-4-13(11-23-18)16-6-5-14(9-17(16)21)27-12-15(10-22)30-20(27)29;/h4-7,9,11,15H,2-3,8,10,12,22H2,1H3;1H/t15-;/m0./s1
InChIKeyXOTGXXZLPUJCKT-RSAXXLAASA-N
MW447.90 g/mol
LogP-1.09
Rot. Bonds7

About [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride

[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride (PubChem CID 169429223) has the molecular formula C20H23ClFN7O2 and a molecular weight of 447.90 g/mol. Its IUPAC name is [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride.

Molecular Properties

Compound Name[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride
PubChem CID169429223
Molecular FormulaC20H23ClFN7O2
Molecular Weight447.90 g/mol
Exact Mass447.16
IUPAC Name[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride
SMILESCCCCn1nnc(-c2ccc(-c3ccc(N4C[C@H](C[NH3+])OC4=O)cc3F)cn2)n1.[Cl-]
InChIInChI=1S/C20H22FN7O2.ClH/c1-2-3-8-28-25-19(24-26-28)18-7-4-13(11-23-18)16-6-5-14(9-17(16)21)27-12-15(10-22)30-20(27)29;/h4-7,9,11,15H,2-3,8,10,12,22H2,1H3;1H/t15-;/m0./s1
InChIKeyXOTGXXZLPUJCKT-RSAXXLAASA-N
XLogP-1.09
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 72752411
(5S)-3-[4-[6-(2-ethyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;phosphoric acid
CID 175794028
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
CID 59477107
3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane
CID 168962492
[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 72783304
[(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-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041
CID 131886043
CID 131886043
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
3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370
(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one
CID 166910275

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride?
The IUPAC name of [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride (CID 169429223) is [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride.
What is the SMILES notation for [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride?
The canonical SMILES for [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride is CCCCn1nnc(-c2ccc(-c3ccc(N4C[C@H](C[NH3+])OC4=O)cc3F)cn2)n1.[Cl-].
What is the InChIKey of [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride?
The InChIKey is XOTGXXZLPUJCKT-RSAXXLAASA-N. The full InChI is InChI=1S/C20H22FN7O2.ClH/c1-2-3-8-28-25-19(24-26-28)18-7-4-13(11-23-18)16-6-5-14(9-17(16)21)27-12-15(10-22)30-20(27)29;/h4-7,9,11,15H,2-3,8,10,12,22H2,1H3;1H/t15-;/m0./s1.
What are the key properties of [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride?
[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride has a molecular weight of 447.90 g/mol, XLogP of -1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride is sourced from PubChem (CID 169429223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).