2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine

C15H18N2O3S — CID 141409789

IUPAC2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1cc(C)c(S(=O)(=O)c2nc3c(o2)CNCC3)cc1C
InChIInChI=1S/C15H18N2O3S/c1-9-6-11(3)14(7-10(9)2)21(18,19)15-17-12-4-5-16-8-13(12)20-15/h6-7,16H,4-5,8H2,1-3H3
InChIKeyQKYDXEVPJJKYRX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.08
Rot. Bonds2

About 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine

2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 141409789) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
PubChem CID141409789
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1cc(C)c(S(=O)(=O)c2nc3c(o2)CNCC3)cc1C
InChIInChI=1S/C15H18N2O3S/c1-9-6-11(3)14(7-10(9)2)21(18,19)15-17-12-4-5-16-8-13(12)20-15/h6-7,16H,4-5,8H2,1-3H3
InChIKeyQKYDXEVPJJKYRX-UHFFFAOYSA-N
XLogP2.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (CID 141409789) is 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is Cc1cc(C)c(S(=O)(=O)c2nc3c(o2)CNCC3)cc1C.
What is the InChIKey of 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is QKYDXEVPJJKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-6-11(3)14(7-10(9)2)21(18,19)15-17-12-4-5-16-8-13(12)20-15/h6-7,16H,4-5,8H2,1-3H3.
What are the key properties of 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 306.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 141409789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).