10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine

C28H22N2O2 — CID 177272837

IUPAC10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
SMILESCC(C)c1ccc2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)oc2c1
InChIInChI=1S/C28H22N2O2/c1-18(2)20-13-16-22-27(17-20)32-28(29-22)19-11-14-21(15-12-19)30-23-7-3-5-9-25(23)31-26-10-6-4-8-24(26)30/h3-18H,1-2H3
InChIKeyJBRWBTDVRJFXHA-UHFFFAOYSA-N
MW418.50 g/mol
LogP8.19
Rot. Bonds3

About 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine

10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine (PubChem CID 177272837) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
PubChem CID177272837
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
SMILESCC(C)c1ccc2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)oc2c1
InChIInChI=1S/C28H22N2O2/c1-18(2)20-13-16-22-27(17-20)32-28(29-22)19-11-14-21(15-12-19)30-23-7-3-5-9-25(23)31-26-10-6-4-8-24(26)30/h3-18H,1-2H3
InChIKeyJBRWBTDVRJFXHA-UHFFFAOYSA-N
XLogP8.19
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
CID 166119017
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
CID 157498338
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 14093478
10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole
CID 159198907
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 154623001
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-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine (CID 177272837) is 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine is CC(C)c1ccc2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)oc2c1.
What is the InChIKey of 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine?
The InChIKey is JBRWBTDVRJFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-18(2)20-13-16-22-27(17-20)32-28(29-22)19-11-14-21(15-12-19)30-23-7-3-5-9-25(23)31-26-10-6-4-8-24(26)30/h3-18H,1-2H3.
What are the key properties of 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine?
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine has a molecular weight of 418.50 g/mol, XLogP of 8.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 177272837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).