2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

C15H17N3O5S — CID 122187173

IUPAC2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O5S/c1-10-2-3-11(8-13(10)24(16,20)21)12-9-17-14(23-12)15(19)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
InChIKeyCJFYAZQKLRMHRP-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.77
Rot. Bonds3

About 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 122187173) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID122187173
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O5S/c1-10-2-3-11(8-13(10)24(16,20)21)12-9-17-14(23-12)15(19)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
InChIKeyCJFYAZQKLRMHRP-UHFFFAOYSA-N
XLogP0.77
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 122187173) is 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is CJFYAZQKLRMHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-10-2-3-11(8-13(10)24(16,20)21)12-9-17-14(23-12)15(19)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21).
What are the key properties of 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 122187173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).