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

C19H18FN7O4 — CID 10251911

IUPACmethyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H18FN7O4/c1-26-17(23-24-25-26)16-6-3-11(8-21-16)14-5-4-12(7-15(14)20)27-10-13(31-19(27)29)9-22-18(28)30-2/h3-8,13H,9-10H2,1-2H3,(H,22,28)/t13-/m0/s1
InChIKeyIMWAETZZKRLYEZ-ZDUSSCGKSA-N
MW427.40 g/mol
LogP1.76
Rot. Bonds5

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

methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 10251911) has the molecular formula C19H18FN7O4 and a molecular weight of 427.40 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID10251911
Molecular FormulaC19H18FN7O4
Molecular Weight427.40 g/mol
Exact Mass427.14
IUPAC Namemethyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H18FN7O4/c1-26-17(23-24-25-26)16-6-3-11(8-21-16)14-5-4-12(7-15(14)20)27-10-13(31-19(27)29)9-22-18(28)30-2/h3-8,13H,9-10H2,1-2H3,(H,22,28)/t13-/m0/s1
InChIKeyIMWAETZZKRLYEZ-ZDUSSCGKSA-N
XLogP1.76
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 10251911) is methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is IMWAETZZKRLYEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18FN7O4/c1-26-17(23-24-25-26)16-6-3-11(8-21-16)14-5-4-12(7-15(14)20)27-10-13(31-19(27)29)9-22-18(28)30-2/h3-8,13H,9-10H2,1-2H3,(H,22,28)/t13-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 427.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 10251911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).