2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine

C15H15N3O2S — CID 20948945

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1c(C)cnc(CSc2nc3ncccc3o2)c1C
InChIInChI=1S/C15H15N3O2S/c1-9-7-17-11(10(2)13(9)19-3)8-21-15-18-14-12(20-15)5-4-6-16-14/h4-7H,8H2,1-3H3
InChIKeyPXFPHPLZNVHIOG-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.54
Rot. Bonds4

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 20948945) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID20948945
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1c(C)cnc(CSc2nc3ncccc3o2)c1C
InChIInChI=1S/C15H15N3O2S/c1-9-7-17-11(10(2)13(9)19-3)8-21-15-18-14-12(20-15)5-4-6-16-14/h4-7H,8H2,1-3H3
InChIKeyPXFPHPLZNVHIOG-UHFFFAOYSA-N
XLogP3.54
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (CID 20948945) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is COc1c(C)cnc(CSc2nc3ncccc3o2)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is PXFPHPLZNVHIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-7-17-11(10(2)13(9)19-3)8-21-15-18-14-12(20-15)5-4-6-16-14/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 301.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 20948945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).