N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H20N4O4S — CID 162637581

IUPACN-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCS(=O)(=O)NCc1ccnc(CNC(=O)c2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C19H20N4O4S/c1-2-28(25,26)22-12-14-8-9-20-16(10-14)13-21-19(24)17-11-18(27-23-17)15-6-4-3-5-7-15/h3-11,22H,2,12-13H2,1H3,(H,21,24)
InChIKeyUMSFEWGRRQNWCJ-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.11
Rot. Bonds8

About N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 162637581) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID162637581
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCS(=O)(=O)NCc1ccnc(CNC(=O)c2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C19H20N4O4S/c1-2-28(25,26)22-12-14-8-9-20-16(10-14)13-21-19(24)17-11-18(27-23-17)15-6-4-3-5-7-15/h3-11,22H,2,12-13H2,1H3,(H,21,24)
InChIKeyUMSFEWGRRQNWCJ-UHFFFAOYSA-N
XLogP2.11
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 162637581) is N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is CCS(=O)(=O)NCc1ccnc(CNC(=O)c2cc(-c3ccccc3)on2)c1.
What is the InChIKey of N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is UMSFEWGRRQNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-28(25,26)22-12-14-8-9-20-16(10-14)13-21-19(24)17-11-18(27-23-17)15-6-4-3-5-7-15/h3-11,22H,2,12-13H2,1H3,(H,21,24).
What are the key properties of N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162637581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).