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

C19H16F2N6O3 — CID 11517218

IUPACN-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4ccnn4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H16F2N6O3/c1-11(28)22-9-14-10-26(19(29)30-14)13-6-15(20)18(16(21)7-13)12-2-3-17(23-8-12)27-5-4-24-25-27/h2-8,14H,9-10H2,1H3,(H,22,28)/t14-/m0/s1
InChIKeyHSICCYQTUICUBU-AWEZNQCLSA-N
MW414.37 g/mol
LogP2.07
Rot. Bonds5

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

N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11517218) has the molecular formula C19H16F2N6O3 and a molecular weight of 414.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11517218
Molecular FormulaC19H16F2N6O3
Molecular Weight414.37 g/mol
Exact Mass414.13
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4ccnn4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H16F2N6O3/c1-11(28)22-9-14-10-26(19(29)30-14)13-6-15(20)18(16(21)7-13)12-2-3-17(23-8-12)27-5-4-24-25-27/h2-8,14H,9-10H2,1H3,(H,22,28)/t14-/m0/s1
InChIKeyHSICCYQTUICUBU-AWEZNQCLSA-N
XLogP2.07
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-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-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11517218) is N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-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-(triazol-1-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-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4ccnn4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HSICCYQTUICUBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16F2N6O3/c1-11(28)22-9-14-10-26(19(29)30-14)13-6-15(20)18(16(21)7-13)12-2-3-17(23-8-12)27-5-4-24-25-27/h2-8,14H,9-10H2,1H3,(H,22,28)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 414.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11517218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).