10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine

C20H12F3N5O — CID 140910355

IUPAC10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H12F3N5O/c21-20(22,23)13-11-12(19-24-26-27-25-19)9-10-14(13)28-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)28/h1-11H,(H,24,25,26,27)
InChIKeyLIBOGQYBQQIHBQ-UHFFFAOYSA-N
MW395.34 g/mol
LogP5.46
Rot. Bonds2

About 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine

10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine (PubChem CID 140910355) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine
PubChem CID140910355
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H12F3N5O/c21-20(22,23)13-11-12(19-24-26-27-25-19)9-10-14(13)28-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)28/h1-11H,(H,24,25,26,27)
InChIKeyLIBOGQYBQQIHBQ-UHFFFAOYSA-N
XLogP5.46
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine (CID 140910355) is 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine is FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is LIBOGQYBQQIHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-20(22,23)13-11-12(19-24-26-27-25-19)9-10-14(13)28-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)28/h1-11H,(H,24,25,26,27).
What are the key properties of 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 395.34 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 140910355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).