7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

C24H14N4O2 — CID 126749701

IUPAC7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occn4c3c2)c1
InChIInChI=1S/C24H14N4O2/c1-2-15(17-4-6-19-21(13-17)27-8-10-29-23(27)25-19)12-16(3-1)18-5-7-20-22(14-18)28-9-11-30-24(28)26-20/h1-14H
InChIKeyLQXQAXAZGMNVHM-UHFFFAOYSA-N
MW390.40 g/mol
LogP5.81
Rot. Bonds2

About 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749701) has the molecular formula C24H14N4O2 and a molecular weight of 390.40 g/mol. Its IUPAC name is 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749701
Molecular FormulaC24H14N4O2
Molecular Weight390.40 g/mol
Exact Mass390.11
IUPAC Name7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occn4c3c2)c1
InChIInChI=1S/C24H14N4O2/c1-2-15(17-4-6-19-21(13-17)27-8-10-29-23(27)25-19)12-16(3-1)18-5-7-20-22(14-18)28-9-11-30-24(28)26-20/h1-14H
InChIKeyLQXQAXAZGMNVHM-UHFFFAOYSA-N
XLogP5.81
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
6-(4-Fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 24952852
5-(3-Ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 24952853
6-[6-(4-Fluorophenyl)-imidazo[2,1-b]oxazol-5-yl]-2-pyridin-4-yl-1H-benzimidazole
CID 59457791
6-[6-(4-fluorophenyl)-imidazo[2,1-b]oxazol-5-yl]-2-pyridin-4-yl-1H-benzoimidazole 3-oxide
CID 59457800
2-N-(2,2-dimethylpropyl)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzene-1,2-diamine
CID 59457808
5-[3-(2,2-Dimethylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 59457832
1-(2,2-Dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
CID 59457834
6-(2,4-Difluorophenyl)-5-quinoxalin-6-ylimidazo[2,1-b][1,3]oxazole
CID 121349943
5-Quinolin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 121349951
6-(4-Fluorophenyl)-5-imidazo[1,2-a]pyridin-6-ylimidazo[2,1-b][1,3]oxazole
CID 121349959
6-(4-Fluorophenyl)-5-quinolin-6-ylimidazo[2,1-b][1,3]oxazole
CID 121349975

Frequently Asked Questions

What is the IUPAC name of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749701) is 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2ccc3nc4occn4c3c2)c1.
What is the InChIKey of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is LQXQAXAZGMNVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O2/c1-2-15(17-4-6-19-21(13-17)27-8-10-29-23(27)25-19)12-16(3-1)18-5-7-20-22(14-18)28-9-11-30-24(28)26-20/h1-14H.
What are the key properties of 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 390.40 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).