1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole

C21H13N3O2 — CID 142724499

IUPAC1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole
SMILESO=Nc1c(-c2ccccc2)nc2oc3ccc(-c4ccccc4)cc3n12
InChIInChI=1S/C21H13N3O2/c25-23-20-19(15-9-5-2-6-10-15)22-21-24(20)17-13-16(11-12-18(17)26-21)14-7-3-1-4-8-14/h1-13H
InChIKeyQDSIPKVUZJMYOL-UHFFFAOYSA-N
MW339.35 g/mol
LogP5.81
Rot. Bonds3

About 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole

1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole (PubChem CID 142724499) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole
PubChem CID142724499
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole
SMILESO=Nc1c(-c2ccccc2)nc2oc3ccc(-c4ccccc4)cc3n12
InChIInChI=1S/C21H13N3O2/c25-23-20-19(15-9-5-2-6-10-15)22-21-24(20)17-13-16(11-12-18(17)26-21)14-7-3-1-4-8-14/h1-13H
InChIKeyQDSIPKVUZJMYOL-UHFFFAOYSA-N
XLogP5.81
TPSA59.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole
CID 154624038
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
CID 153462915
N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
CID 59691150
1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole
CID 671760
7-bromo-4-phenylpyrimido[2,1-b][1,3]benzoxazol-2-one
CID 171448296
10-phenyl-[1,3]benzoxazolo[3,2-a]quinolin-5-one
CID 13000725
2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691113
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 155391753

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole (CID 142724499) is 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole is O=Nc1c(-c2ccccc2)nc2oc3ccc(-c4ccccc4)cc3n12.
What is the InChIKey of 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole?
The InChIKey is QDSIPKVUZJMYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c25-23-20-19(15-9-5-2-6-10-15)22-21-24(20)17-13-16(11-12-18(17)26-21)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole?
1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole has a molecular weight of 339.35 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 142724499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).