2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine

C15H11N3O2S2 — CID 20948866

IUPAC2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1oc(-c2cccs2)nc1CSc1nc2ncccc2o1
InChIInChI=1S/C15H11N3O2S2/c1-9-10(17-14(19-9)12-5-3-7-21-12)8-22-15-18-13-11(20-15)4-2-6-16-13/h2-7H,8H2,1H3
InChIKeyKRXMDBMBLHDISV-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.54
Rot. Bonds4

About 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine

2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 20948866) has the molecular formula C15H11N3O2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID20948866
Molecular FormulaC15H11N3O2S2
Molecular Weight329.41 g/mol
Exact Mass329.03
IUPAC Name2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1oc(-c2cccs2)nc1CSc1nc2ncccc2o1
InChIInChI=1S/C15H11N3O2S2/c1-9-10(17-14(19-9)12-5-3-7-21-12)8-22-15-18-13-11(20-15)4-2-6-16-13/h2-7H,8H2,1H3
InChIKeyKRXMDBMBLHDISV-UHFFFAOYSA-N
XLogP4.54
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (CID 20948866) is 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is Cc1oc(-c2cccs2)nc1CSc1nc2ncccc2o1.
What is the InChIKey of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is KRXMDBMBLHDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S2/c1-9-10(17-14(19-9)12-5-3-7-21-12)8-22-15-18-13-11(20-15)4-2-6-16-13/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 329.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 20948866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).