5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid

C13H14N2O5S — CID 75368360

IUPAC5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NS(=O)(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(20-14-8)9(2)15-21(18,19)10-6-4-3-5-7-10/h3-7,9,15H,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyBSARADMGKOUVBD-SECBINFHSA-N
MW310.33 g/mol
LogP1.72
Rot. Bonds5

About 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid

5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368360) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID75368360
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NS(=O)(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(20-14-8)9(2)15-21(18,19)10-6-4-3-5-7-10/h3-7,9,15H,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyBSARADMGKOUVBD-SECBINFHSA-N
XLogP1.72
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368328
3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
CID 162919311
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
3-methyl-5-[(1R)-1-(pyridin-3-ylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 172884881
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
CID 167974119
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)benzoic acid
CID 46398466
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 75368360) is 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NS(=O)(=O)c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is BSARADMGKOUVBD-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(20-14-8)9(2)15-21(18,19)10-6-4-3-5-7-10/h3-7,9,15H,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).