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

C17H13N3O2S — CID 20948828

IUPAC2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1oc(-c2ccccc2)nc1CSc1nc2ncccc2o1
InChIInChI=1S/C17H13N3O2S/c1-11-13(19-16(21-11)12-6-3-2-4-7-12)10-23-17-20-15-14(22-17)8-5-9-18-15/h2-9H,10H2,1H3
InChIKeyOULIRNDVPCQZPF-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.48
Rot. Bonds4

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

2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 20948828) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID20948828
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1oc(-c2ccccc2)nc1CSc1nc2ncccc2o1
InChIInChI=1S/C17H13N3O2S/c1-11-13(19-16(21-11)12-6-3-2-4-7-12)10-23-17-20-15-14(22-17)8-5-9-18-15/h2-9H,10H2,1H3
InChIKeyOULIRNDVPCQZPF-UHFFFAOYSA-N
XLogP4.48
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (CID 20948828) is 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is Cc1oc(-c2ccccc2)nc1CSc1nc2ncccc2o1.
What is the InChIKey of 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is OULIRNDVPCQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-11-13(19-16(21-11)12-6-3-2-4-7-12)10-23-17-20-15-14(22-17)8-5-9-18-15/h2-9H,10H2,1H3.
What are the key properties of 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 323.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 20948828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).