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

C20H21ClFN7O4 — CID 11225337

IUPAC[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride
SMILESCl.Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CCN)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C20H20FN7O4.ClH/c1-27-25-19(24-26-27)17-5-2-12(9-23-17)15-4-3-13(8-16(15)21)28-10-14(32-20(28)30)11-31-18(29)6-7-22;/h2-5,8-9,14H,6-7,10-11,22H2,1H3;1H/t14-;/m1./s1
InChIKeyPTDKCXQWHVZGCZ-PFEQFJNWSA-N
MW477.88 g/mol
LogP1.72
Rot. Bonds7

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

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride (PubChem CID 11225337) has the molecular formula C20H21ClFN7O4 and a molecular weight of 477.88 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride
PubChem CID11225337
Molecular FormulaC20H21ClFN7O4
Molecular Weight477.88 g/mol
Exact Mass477.13
IUPAC Name[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride
SMILESCl.Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CCN)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C20H20FN7O4.ClH/c1-27-25-19(24-26-27)17-5-2-12(9-23-17)15-4-3-13(8-16(15)21)28-10-14(32-20(28)30)11-31-18(29)6-7-22;/h2-5,8-9,14H,6-7,10-11,22H2,1H3;1H/t14-;/m1./s1
InChIKeyPTDKCXQWHVZGCZ-PFEQFJNWSA-N
XLogP1.72
TPSA138.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

Tedizolid
CID 11234049
Tedizolid Phosphate
CID 11476460
Tedizolid phosphate disodium salt
CID 11477442
(5R)-3-(3-Fluoro-4-(6-(1-methyl-1H-tetrazol-5-yl)-3-pyridinyl)phenyl)-5-(hydroxymethyl)-2-oxazolidinone
CID 11303193
DA-7867
CID 10409343
(5R)-3-(3-Fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyrid-3-yl)phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10432307
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 11169190
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 11179672
(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 11199935
(R)-3-(4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)-5-fluoromethyl oxazolidin-2-on
CID 11210968
(R)-3-(4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)-5-methoxymethyl oxazolidin-2-on
CID 11211289
(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 11246497

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride?
The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride (CID 11225337) is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride is Cl.Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CCN)OC4=O)cc3F)cn2)n1.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride?
The InChIKey is PTDKCXQWHVZGCZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H20FN7O4.ClH/c1-27-25-19(24-26-27)17-5-2-12(9-23-17)15-4-3-13(8-16(15)21)28-10-14(32-20(28)30)11-31-18(29)6-7-22;/h2-5,8-9,14H,6-7,10-11,22H2,1H3;1H/t14-;/m1./s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride?
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride has a molecular weight of 477.88 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride is sourced from PubChem (CID 11225337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).