10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine

C30H17N5O3 — CID 129148033

IUPAC10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc(-c2nc3cnccc3o2)c1
InChIInChI=1S/C30H17N5O3/c1-3-7-27-23(5-1)35(24-6-2-4-8-28(24)36-27)20-14-18(29-33-21-16-31-11-9-25(21)37-29)13-19(15-20)30-34-22-17-32-12-10-26(22)38-30/h1-17H
InChIKeyCQUPGINOUYKTKQ-UHFFFAOYSA-N
MW495.50 g/mol
LogP7.67
Rot. Bonds3

About 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine

10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148033) has the molecular formula C30H17N5O3 and a molecular weight of 495.50 g/mol. Its IUPAC name is 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148033
Molecular FormulaC30H17N5O3
Molecular Weight495.50 g/mol
Exact Mass495.13
IUPAC Name10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc(-c2nc3cnccc3o2)c1
InChIInChI=1S/C30H17N5O3/c1-3-7-27-23(5-1)35(24-6-2-4-8-28(24)36-27)20-14-18(29-33-21-16-31-11-9-25(21)37-29)13-19(15-20)30-34-22-17-32-12-10-26(22)38-30/h1-17H
InChIKeyCQUPGINOUYKTKQ-UHFFFAOYSA-N
XLogP7.67
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
CID 129148108
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
CID 58251220
10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 137473462
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
2-[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
CID 164783651
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837
2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677478
10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129148213
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (CID 129148033) is 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc(-c2nc3cnccc3o2)c1.
What is the InChIKey of 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is CQUPGINOUYKTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N5O3/c1-3-7-27-23(5-1)35(24-6-2-4-8-28(24)36-27)20-14-18(29-33-21-16-31-11-9-25(21)37-29)13-19(15-20)30-34-22-17-32-12-10-26(22)38-30/h1-17H.
What are the key properties of 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 495.50 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).