7-ethyl-2-phenylbenzo[g][1,3]benzoxazole

C19H15NO — CID 164898492

IUPAC7-ethyl-2-phenylbenzo[g][1,3]benzoxazole
SMILESCCc1ccc2c(ccc3nc(-c4ccccc4)oc32)c1
InChIInChI=1S/C19H15NO/c1-2-13-8-10-16-15(12-13)9-11-17-18(16)21-19(20-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyABUAKILEJLCQIG-UHFFFAOYSA-N
MW273.33 g/mol
LogP5.21
Rot. Bonds2

About 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole

7-ethyl-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 164898492) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name7-ethyl-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID164898492
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name7-ethyl-2-phenylbenzo[g][1,3]benzoxazole
SMILESCCc1ccc2c(ccc3nc(-c4ccccc4)oc32)c1
InChIInChI=1S/C19H15NO/c1-2-13-8-10-16-15(12-13)9-11-17-18(16)21-19(20-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyABUAKILEJLCQIG-UHFFFAOYSA-N
XLogP5.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.33
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-tris(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 155473991
2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine
CID 170424966
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 171410345
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 138633638
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
CID 138633502
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole (CID 164898492) is 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole is CCc1ccc2c(ccc3nc(-c4ccccc4)oc32)c1.
What is the InChIKey of 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is ABUAKILEJLCQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-2-13-8-10-16-15(12-13)9-11-17-18(16)21-19(20-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3.
What are the key properties of 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole?
7-ethyl-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 273.33 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 164898492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).