2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole

C15H15N3O3S — CID 75515573

IUPAC2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole
SMILESCc1cnc(S(=O)(=O)CCCc2nc3ccccc3o2)nc1
InChIInChI=1S/C15H15N3O3S/c1-11-9-16-15(17-10-11)22(19,20)8-4-7-14-18-12-5-2-3-6-13(12)21-14/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyOHCINCFRXYGYJY-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole

2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole (PubChem CID 75515573) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole
PubChem CID75515573
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole
SMILESCc1cnc(S(=O)(=O)CCCc2nc3ccccc3o2)nc1
InChIInChI=1S/C15H15N3O3S/c1-11-9-16-15(17-10-11)22(19,20)8-4-7-14-18-12-5-2-3-6-13(12)21-14/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyOHCINCFRXYGYJY-UHFFFAOYSA-N
XLogP2.33
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-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 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole (CID 75515573) is 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole is Cc1cnc(S(=O)(=O)CCCc2nc3ccccc3o2)nc1.
What is the InChIKey of 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole?
The InChIKey is OHCINCFRXYGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11-9-16-15(17-10-11)22(19,20)8-4-7-14-18-12-5-2-3-6-13(12)21-14/h2-3,5-6,9-10H,4,7-8H2,1H3.
What are the key properties of 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole?
2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole has a molecular weight of 317.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole is sourced from PubChem (CID 75515573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).