5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide

C23H21N5O5S — CID 17010986

IUPAC5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)no2)cc1
InChIInChI=1S/C23H21N5O5S/c1-3-32-18-8-4-16(5-9-18)21-14-20(27-33-21)22(29)26-17-6-10-19(11-7-17)34(30,31)28-23-24-13-12-15(2)25-23/h4-14H,3H2,1-2H3,(H,26,29)(H,24,25,28)
InChIKeyLZBLZNBYSJVVQS-UHFFFAOYSA-N
MW479.52 g/mol
LogP3.89
Rot. Bonds8

About 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide

5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 17010986) has the molecular formula C23H21N5O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID17010986
Molecular FormulaC23H21N5O5S
Molecular Weight479.52 g/mol
Exact Mass479.13
IUPAC Name5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)no2)cc1
InChIInChI=1S/C23H21N5O5S/c1-3-32-18-8-4-16(5-9-18)21-14-20(27-33-21)22(29)26-17-6-10-19(11-7-17)34(30,31)28-23-24-13-12-15(2)25-23/h4-14H,3H2,1-2H3,(H,26,29)(H,24,25,28)
InChIKeyLZBLZNBYSJVVQS-UHFFFAOYSA-N
XLogP3.89
TPSA136.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
5-(4-butoxyphenyl)-N-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 171691982
2-(4-ethoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30385719
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 154848341
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43909240
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 90504744
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 38011887

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide (CID 17010986) is 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LZBLZNBYSJVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S/c1-3-32-18-8-4-16(5-9-18)21-14-20(27-33-21)22(29)26-17-6-10-19(11-7-17)34(30,31)28-23-24-13-12-15(2)25-23/h4-14H,3H2,1-2H3,(H,26,29)(H,24,25,28).
What are the key properties of 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide?
5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17010986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).