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

C19H18FN5O4S — CID 127042348

IUPACN-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H18FN5O4S/c1-30(27,28)23-10-15-12-24(19(26)29-15)14-5-6-18(16(20)8-14)25-11-13(9-22-25)17-4-2-3-7-21-17/h2-9,11,15,23H,10,12H2,1H3/t15-/m0/s1
InChIKeyPIDKPWYOOLORAQ-HNNXBMFYSA-N
MW431.45 g/mol
LogP1.95
Rot. Bonds6

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

N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 127042348) has the molecular formula C19H18FN5O4S and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID127042348
Molecular FormulaC19H18FN5O4S
Molecular Weight431.45 g/mol
Exact Mass431.11
IUPAC NameN-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H18FN5O4S/c1-30(27,28)23-10-15-12-24(19(26)29-15)14-5-6-18(16(20)8-14)25-11-13(9-22-25)17-4-2-3-7-21-17/h2-9,11,15,23H,10,12H2,1H3/t15-/m0/s1
InChIKeyPIDKPWYOOLORAQ-HNNXBMFYSA-N
XLogP1.95
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 127042348) is N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is PIDKPWYOOLORAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FN5O4S/c1-30(27,28)23-10-15-12-24(19(26)29-15)14-5-6-18(16(20)8-14)25-11-13(9-22-25)17-4-2-3-7-21-17/h2-9,11,15,23H,10,12H2,1H3/t15-/m0/s1.
What are the key properties of N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 431.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 127042348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).