3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide

C18H16FN3O4S — CID 164903496

IUPAC3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cnn3c2OCC3)c1
InChIInChI=1S/C18H16FN3O4S/c1-20-27(23,24)14-6-7-17(26-13-4-2-12(19)3-5-13)15(10-14)16-11-21-22-8-9-25-18(16)22/h2-7,10-11,20H,8-9H2,1H3
InChIKeyQXNGQYUXQSVVQH-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.78
Rot. Bonds5

About 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide

3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide (PubChem CID 164903496) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide
PubChem CID164903496
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cnn3c2OCC3)c1
InChIInChI=1S/C18H16FN3O4S/c1-20-27(23,24)14-6-7-17(26-13-4-2-12(19)3-5-13)15(10-14)16-11-21-22-8-9-25-18(16)22/h2-7,10-11,20H,8-9H2,1H3
InChIKeyQXNGQYUXQSVVQH-UHFFFAOYSA-N
XLogP2.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide (CID 164903496) is 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cnn3c2OCC3)c1.
What is the InChIKey of 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide?
The InChIKey is QXNGQYUXQSVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-20-27(23,24)14-6-7-17(26-13-4-2-12(19)3-5-13)15(10-14)16-11-21-22-8-9-25-18(16)22/h2-7,10-11,20H,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide?
3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide has a molecular weight of 389.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 164903496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).