N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H14FN5O3 — CID 10593461

IUPACN-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C#N)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14FN5O3/c1-10(23)19-8-13-9-21(16(24)25-13)12-2-3-15(14(17)6-12)22-5-4-11(7-18)20-22/h2-6,13H,8-9H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyPXOQBIFCEDLPAV-ZDUSSCGKSA-N
MW343.32 g/mol
LogP1.34
Rot. Bonds4

About N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10593461) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10593461
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC NameN-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C#N)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14FN5O3/c1-10(23)19-8-13-9-21(16(24)25-13)12-2-3-15(14(17)6-12)22-5-4-11(7-18)20-22/h2-6,13H,8-9H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyPXOQBIFCEDLPAV-ZDUSSCGKSA-N
XLogP1.34
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10593461) is N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C#N)n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PXOQBIFCEDLPAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-10(23)19-8-13-9-21(16(24)25-13)12-2-3-15(14(17)6-12)22-5-4-11(7-18)20-22/h2-6,13H,8-9H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 343.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(3-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).