(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C19H16FN9O2 — CID 10432307

IUPAC(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H16FN9O2/c1-27-24-18(23-26-27)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)29-11-14(31-19(29)30)10-28-7-6-22-25-28/h2-9,14H,10-11H2,1H3/t14-/m0/s1
InChIKeyFSEGUXFZDOGRSR-AWEZNQCLSA-N
MW421.40 g/mol
LogP1.70
Rot. Bonds5

About (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10432307) has the molecular formula C19H16FN9O2 and a molecular weight of 421.40 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10432307
Molecular FormulaC19H16FN9O2
Molecular Weight421.40 g/mol
Exact Mass421.14
IUPAC Name(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H16FN9O2/c1-27-24-18(23-26-27)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)29-11-14(31-19(29)30)10-28-7-6-22-25-28/h2-9,14H,10-11H2,1H3/t14-/m0/s1
InChIKeyFSEGUXFZDOGRSR-AWEZNQCLSA-N
XLogP1.70
TPSA116.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Tedizolid
CID 11234049
Tedizolid Phosphate
CID 11476460
3-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetrazol-5-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one
CID 10917953
3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one
CID 11016418
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
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
(5R)-3-[3-Fluoro-4-(1-methyl-1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10337483
DA-7867
CID 10409343
(4-{2-Fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}-1H-1,2,3-triazol-1-yl)acetonitrile
CID 10429088
[(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
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11190371

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10432307) is (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)n1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is FSEGUXFZDOGRSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16FN9O2/c1-27-24-18(23-26-27)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)29-11-14(31-19(29)30)10-28-7-6-22-25-28/h2-9,14H,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 421.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 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]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10432307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).