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

C19H18FN7O4 — CID 52916338

IUPACN-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNC(=O)CO)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H18FN7O4/c1-26-24-18(23-25-26)16-5-2-11(7-21-16)14-4-3-12(6-15(14)20)27-9-13(31-19(27)30)8-22-17(29)10-28/h2-7,13,28H,8-10H2,1H3,(H,22,29)/t13-/m0/s1
InChIKeySSYFXLFMQSGNPM-ZDUSSCGKSA-N
MW427.40 g/mol
LogP0.51
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide (PubChem CID 52916338) has the molecular formula C19H18FN7O4 and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide
PubChem CID52916338
Molecular FormulaC19H18FN7O4
Molecular Weight427.40 g/mol
Exact Mass427.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNC(=O)CO)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H18FN7O4/c1-26-24-18(23-25-26)16-5-2-11(7-21-16)14-4-3-12(6-15(14)20)27-9-13(31-19(27)30)8-22-17(29)10-28/h2-7,13,28H,8-10H2,1H3,(H,22,29)/t13-/m0/s1
InChIKeySSYFXLFMQSGNPM-ZDUSSCGKSA-N
XLogP0.51
TPSA135.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide (CID 52916338) is N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNC(=O)CO)OC4=O)cc3F)cn2)n1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide?
The InChIKey is SSYFXLFMQSGNPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18FN7O4/c1-26-24-18(23-25-26)16-5-2-11(7-21-16)14-4-3-12(6-15(14)20)27-9-13(31-19(27)30)8-22-17(29)10-28/h2-7,13,28H,8-10H2,1H3,(H,22,29)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide?
N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide has a molecular weight of 427.40 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 52916338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).