10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine

C20H13N3O2 — CID 152549860

IUPAC10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnco2)cc1
InChIInChI=1S/C20H13N3O2/c1-3-7-18-16(5-1)23(17-6-2-4-8-19(17)25-18)15-11-9-14(10-12-15)20-22-21-13-24-20/h1-13H
InChIKeyYNGLIYRLQHQIQT-UHFFFAOYSA-N
MW327.34 g/mol
LogP5.31
Rot. Bonds2

About 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine

10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine (PubChem CID 152549860) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
PubChem CID152549860
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnco2)cc1
InChIInChI=1S/C20H13N3O2/c1-3-7-18-16(5-1)23(17-6-2-4-8-19(17)25-18)15-11-9-14(10-12-15)20-22-21-13-24-20/h1-13H
InChIKeyYNGLIYRLQHQIQT-UHFFFAOYSA-N
XLogP5.31
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.34
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
11-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-8H-cyclohepta[b][1,4]benzoxazine
CID 131970912
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
10-(4-fluorophenyl)phenoxazine
CID 141389969
ethane;10-phenylphenoxazine
CID 123756019
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
CID 129037655
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 155416290
10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine
CID 121245052
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine (CID 152549860) is 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnco2)cc1.
What is the InChIKey of 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine?
The InChIKey is YNGLIYRLQHQIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c1-3-7-18-16(5-1)23(17-6-2-4-8-19(17)25-18)15-11-9-14(10-12-15)20-22-21-13-24-20/h1-13H.
What are the key properties of 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine?
10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine has a molecular weight of 327.34 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 152549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).