N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide

C19H16FN5O3 — CID 127042008

IUPACN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
SMILESO=CNC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H16FN5O3/c20-16-7-14(24-11-15(9-21-12-26)28-19(24)27)4-5-18(16)25-10-13(8-23-25)17-3-1-2-6-22-17/h1-8,10,12,15H,9,11H2,(H,21,26)/t15-/m0/s1
InChIKeyMTJGQYUFSIJYBA-HNNXBMFYSA-N
MW381.37 g/mol
LogP2.14
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide

N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide (PubChem CID 127042008) has the molecular formula C19H16FN5O3 and a molecular weight of 381.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
PubChem CID127042008
Molecular FormulaC19H16FN5O3
Molecular Weight381.37 g/mol
Exact Mass381.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
SMILESO=CNC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H16FN5O3/c20-16-7-14(24-11-15(9-21-12-26)28-19(24)27)4-5-18(16)25-10-13(8-23-25)17-3-1-2-6-22-17/h1-8,10,12,15H,9,11H2,(H,21,26)/t15-/m0/s1
InChIKeyMTJGQYUFSIJYBA-HNNXBMFYSA-N
XLogP2.14
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide (CID 127042008) is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide is O=CNC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
The InChIKey is MTJGQYUFSIJYBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16FN5O3/c20-16-7-14(24-11-15(9-21-12-26)28-19(24)27)4-5-18(16)25-10-13(8-23-25)17-3-1-2-6-22-17/h1-8,10,12,15H,9,11H2,(H,21,26)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide has a molecular weight of 381.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide is sourced from PubChem (CID 127042008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).