3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide

C17H23N3O4S — CID 110606779

IUPAC3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O4S/c1-12-14(15(19-24-12)17(2,3)4)16(21)18-10-11-25(22,23)20-13-8-6-5-7-9-13/h5-9,20H,10-11H2,1-4H3,(H,18,21)
InChIKeyRCPVEGPTQPLELA-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.45
Rot. Bonds6

About 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 110606779) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID110606779
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O4S/c1-12-14(15(19-24-12)17(2,3)4)16(21)18-10-11-25(22,23)20-13-8-6-5-7-9-13/h5-9,20H,10-11H2,1-4H3,(H,18,21)
InChIKeyRCPVEGPTQPLELA-UHFFFAOYSA-N
XLogP2.45
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058
3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110605804
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770
2-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345062
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110623949

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide (CID 110606779) is 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RCPVEGPTQPLELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-14(15(19-24-12)17(2,3)4)16(21)18-10-11-25(22,23)20-13-8-6-5-7-9-13/h5-9,20H,10-11H2,1-4H3,(H,18,21).
What are the key properties of 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110606779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).