5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid

C16H18N2O5S — CID 146133654

IUPAC5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid
SMILESCc1cc(S(=O)(=O)NCc2cnc(C3CC3)o2)cc(C(=O)O)c1C
InChIInChI=1S/C16H18N2O5S/c1-9-5-13(6-14(10(9)2)16(19)20)24(21,22)18-8-12-7-17-15(23-12)11-3-4-11/h5-7,11,18H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyUIHOUCTYLQJEME-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.35
Rot. Bonds6

About 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid

5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid (PubChem CID 146133654) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid
PubChem CID146133654
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid
SMILESCc1cc(S(=O)(=O)NCc2cnc(C3CC3)o2)cc(C(=O)O)c1C
InChIInChI=1S/C16H18N2O5S/c1-9-5-13(6-14(10(9)2)16(19)20)24(21,22)18-8-12-7-17-15(23-12)11-3-4-11/h5-7,11,18H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyUIHOUCTYLQJEME-UHFFFAOYSA-N
XLogP2.35
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid (CID 146133654) is 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid is Cc1cc(S(=O)(=O)NCc2cnc(C3CC3)o2)cc(C(=O)O)c1C.
What is the InChIKey of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid?
The InChIKey is UIHOUCTYLQJEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-9-5-13(6-14(10(9)2)16(19)20)24(21,22)18-8-12-7-17-15(23-12)11-3-4-11/h5-7,11,18H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid?
5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid has a molecular weight of 350.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfamoyl]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 146133654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).