3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid

C15H18N2O5S — CID 167974119

IUPAC3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)NC(C)c2c(C)noc2C)c1
InChIInChI=1S/C15H18N2O5S/c1-8-5-12(15(18)19)7-13(6-8)23(20,21)17-10(3)14-9(2)16-22-11(14)4/h5-7,10,17H,1-4H3,(H,18,19)
InChIKeyJKPLOQZNCKZMTF-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.34
Rot. Bonds5

About 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid

3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid (PubChem CID 167974119) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
PubChem CID167974119
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)NC(C)c2c(C)noc2C)c1
InChIInChI=1S/C15H18N2O5S/c1-8-5-12(15(18)19)7-13(6-8)23(20,21)17-10(3)14-9(2)16-22-11(14)4/h5-7,10,17H,1-4H3,(H,18,19)
InChIKeyJKPLOQZNCKZMTF-UHFFFAOYSA-N
XLogP2.34
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
3-methyl-5-(methylsulfamoyl)benzoic acid
CID 165450547
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97065841
1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 79237652
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 79231064
5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368360
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide
CID 79231400

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid (CID 167974119) is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)NC(C)c2c(C)noc2C)c1.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid?
The InChIKey is JKPLOQZNCKZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-8-5-12(15(18)19)7-13(6-8)23(20,21)17-10(3)14-9(2)16-22-11(14)4/h5-7,10,17H,1-4H3,(H,18,19).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid?
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid has a molecular weight of 338.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid is sourced from PubChem (CID 167974119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).