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

C19H17F2N7O3 — CID 11654843

IUPACN-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17F2N7O3/c1-10(29)22-8-13-9-28(19(30)31-13)12-5-14(20)17(15(21)6-12)11-3-4-16(23-7-11)18-24-25-26-27(18)2/h3-7,13H,8-9H2,1-2H3,(H,22,29)/t13-/m0/s1
InChIKeyJSLVEVSUHYVNOR-ZDUSSCGKSA-N
MW429.39 g/mol
LogP1.68
Rot. Bonds5

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

N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11654843) has the molecular formula C19H17F2N7O3 and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11654843
Molecular FormulaC19H17F2N7O3
Molecular Weight429.39 g/mol
Exact Mass429.14
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17F2N7O3/c1-10(29)22-8-13-9-28(19(30)31-13)12-5-14(20)17(15(21)6-12)11-3-4-16(23-7-11)18-24-25-26-27(18)2/h3-7,13H,8-9H2,1-2H3,(H,22,29)/t13-/m0/s1
InChIKeyJSLVEVSUHYVNOR-ZDUSSCGKSA-N
XLogP1.68
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11654843) is N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JSLVEVSUHYVNOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F2N7O3/c1-10(29)22-8-13-9-28(19(30)31-13)12-5-14(20)17(15(21)6-12)11-3-4-16(23-7-11)18-24-25-26-27(18)2/h3-7,13H,8-9H2,1-2H3,(H,22,29)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 429.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11654843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).