10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine

C36H22N4O3 — CID 129148066

IUPAC10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H22N4O3/c1-5-15-31-27(11-1)39(28-12-2-6-16-32(28)41-31)24-20-23(35-38-26-10-9-19-37-36(26)43-35)21-25(22-24)40-29-13-3-7-17-33(29)42-34-18-8-4-14-30(34)40/h1-22H
InChIKeyWQMYOSMVPYMDKP-UHFFFAOYSA-N
MW558.60 g/mol
LogP10.04
Rot. Bonds3

About 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 129148066) has the molecular formula C36H22N4O3 and a molecular weight of 558.60 g/mol. Its IUPAC name is 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID129148066
Molecular FormulaC36H22N4O3
Molecular Weight558.60 g/mol
Exact Mass558.17
IUPAC Name10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H22N4O3/c1-5-15-31-27(11-1)39(28-12-2-6-16-32(28)41-31)24-20-23(35-38-26-10-9-19-37-36(26)43-35)21-25(22-24)40-29-13-3-7-17-33(29)42-34-18-8-4-14-30(34)40/h1-22H
InChIKeyWQMYOSMVPYMDKP-UHFFFAOYSA-N
XLogP10.04
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.60
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
2-[4,18-diphenyl-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 155588342
10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
CID 130353987
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 137473462
2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 160956737
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
CID 134351385
10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
CID 129148108
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452

Frequently Asked Questions

What is the IUPAC name of 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (CID 129148066) is 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is WQMYOSMVPYMDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O3/c1-5-15-31-27(11-1)39(28-12-2-6-16-32(28)41-31)24-20-23(35-38-26-10-9-19-37-36(26)43-35)21-25(22-24)40-29-13-3-7-17-33(29)42-34-18-8-4-14-30(34)40/h1-22H.
What are the key properties of 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 558.60 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 129148066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).