5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole

C15H20N2O3S — CID 106978066

IUPAC5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3cc(S(C)(=O)=O)ccc3o2)CCCN1
InChIInChI=1S/C15H20N2O3S/c1-3-7-15(8-4-9-16-15)14-17-12-10-11(21(2,18)19)5-6-13(12)20-14/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeySNAPLASGPWBZTP-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.61
Rot. Bonds4

About 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole

5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole (PubChem CID 106978066) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
PubChem CID106978066
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3cc(S(C)(=O)=O)ccc3o2)CCCN1
InChIInChI=1S/C15H20N2O3S/c1-3-7-15(8-4-9-16-15)14-17-12-10-11(21(2,18)19)5-6-13(12)20-14/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeySNAPLASGPWBZTP-UHFFFAOYSA-N
XLogP2.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole (CID 106978066) is 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole is CCCC1(c2nc3cc(S(C)(=O)=O)ccc3o2)CCCN1.
What is the InChIKey of 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
The InChIKey is SNAPLASGPWBZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-7-15(8-4-9-16-15)14-17-12-10-11(21(2,18)19)5-6-13(12)20-14/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole?
5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole has a molecular weight of 308.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 106978066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).