5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine

C15H12N2O — CID 82338003

IUPAC5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(/C=C/c3ccccc3)oc2n1
InChIInChI=1S/C15H12N2O/c1-11-7-9-13-15(16-11)18-14(17-13)10-8-12-5-3-2-4-6-12/h2-10H,1H3/b10-8+
InChIKeyCSTMDWFUPNTJBF-CSKARUKUSA-N
MW236.27 g/mol
LogP3.70
Rot. Bonds2

About 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine

5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82338003) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82338003
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(/C=C/c3ccccc3)oc2n1
InChIInChI=1S/C15H12N2O/c1-11-7-9-13-15(16-11)18-14(17-13)10-8-12-5-3-2-4-6-12/h2-10H,1H3/b10-8+
InChIKeyCSTMDWFUPNTJBF-CSKARUKUSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 82338003) is 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc2nc(/C=C/c3ccccc3)oc2n1.
What is the InChIKey of 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is CSTMDWFUPNTJBF-CSKARUKUSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-7-9-13-15(16-11)18-14(17-13)10-8-12-5-3-2-4-6-12/h2-10H,1H3/b10-8+.
What are the key properties of 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine?
5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 236.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82338003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).