2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

C15H18N2OS — CID 144656825

IUPAC2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1ccc(SN2CCc3nc(C)oc3C2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)19-17-9-8-14-15(11(17)2)18-12(3)16-14/h4-7,11H,8-9H2,1-3H3
InChIKeyNGOQCJRQXNRROQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.92
Rot. Bonds2

About 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine

2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 144656825) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID144656825
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1ccc(SN2CCc3nc(C)oc3C2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)19-17-9-8-14-15(11(17)2)18-12(3)16-14/h4-7,11H,8-9H2,1-3H3
InChIKeyNGOQCJRQXNRROQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine (CID 144656825) is 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is Cc1ccc(SN2CCc3nc(C)oc3C2C)cc1.
What is the InChIKey of 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is NGOQCJRQXNRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)19-17-9-8-14-15(11(17)2)18-12(3)16-14/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine?
2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 274.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(4-methylphenyl)sulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 144656825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).