(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

C19H20FN7O2 — CID 11246497

IUPAC(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)C[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H20FN7O2/c1-25(2)10-14-11-27(19(28)29-14)13-5-6-15(16(20)8-13)12-4-7-17(21-9-12)18-22-24-26(3)23-18/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyUMDFPBBDOJKRCK-AWEZNQCLSA-N
MW397.41 g/mol
LogP1.97
Rot. Bonds5

About (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 11246497) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID11246497
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)C[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H20FN7O2/c1-25(2)10-14-11-27(19(28)29-14)13-5-6-15(16(20)8-13)12-4-7-17(21-9-12)18-22-24-26(3)23-18/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyUMDFPBBDOJKRCK-AWEZNQCLSA-N
XLogP1.97
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 11246497) is (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is CN(C)C[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UMDFPBBDOJKRCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-25(2)10-14-11-27(19(28)29-14)13-5-6-15(16(20)8-13)12-4-7-17(21-9-12)18-22-24-26(3)23-18/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 397.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(dimethylamino)methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11246497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).