2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol

C25H16N2O2S — CID 140728420

IUPAC2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol
SMILESOc1ccc(N2c3ccccc3Sc3ccccc32)cc1-c1nc2ccccc2o1
InChIInChI=1S/C25H16N2O2S/c28-21-14-13-16(15-17(21)25-26-18-7-1-4-10-22(18)29-25)27-19-8-2-5-11-23(19)30-24-12-6-3-9-20(24)27/h1-15,28H
InChIKeyUVWDJQNYOOSCCS-UHFFFAOYSA-N
MW408.48 g/mol
LogP7.13
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol

2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol (PubChem CID 140728420) has the molecular formula C25H16N2O2S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol
PubChem CID140728420
Molecular FormulaC25H16N2O2S
Molecular Weight408.48 g/mol
Exact Mass408.09
IUPAC Name2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol
SMILESOc1ccc(N2c3ccccc3Sc3ccccc32)cc1-c1nc2ccccc2o1
InChIInChI=1S/C25H16N2O2S/c28-21-14-13-16(15-17(21)25-26-18-7-1-4-10-22(18)29-25)27-19-8-2-5-11-23(19)30-24-12-6-3-9-20(24)27/h1-15,28H
InChIKeyUVWDJQNYOOSCCS-UHFFFAOYSA-N
XLogP7.13
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129148213
2-[4-(1,3-benzoxazol-2-yl)-2,3,5-tris(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 164705897
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 165111520
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
CID 136600254
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[7-(1,3-benzoxazol-2-yl)-10-(3,5-diphenylphenyl)phenothiazin-3-yl]-1,3-benzoxazole
CID 147925459
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
4-(1,3-benzoxazol-2-yl)-2,5-dihydroxybenzoyl chloride
CID 136740250
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,4-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164706008

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol (CID 140728420) is 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol is Oc1ccc(N2c3ccccc3Sc3ccccc32)cc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol?
The InChIKey is UVWDJQNYOOSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O2S/c28-21-14-13-16(15-17(21)25-26-18-7-1-4-10-22(18)29-25)27-19-8-2-5-11-23(19)30-24-12-6-3-9-20(24)27/h1-15,28H.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol?
2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol has a molecular weight of 408.48 g/mol, XLogP of 7.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol is sourced from PubChem (CID 140728420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).