5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

C27H17N3O — CID 59691047

IUPAC5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc2cc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)ccc2c1
InChIInChI=1S/C27H17N3O/c1-2-8-19-17-20(14-13-18(19)7-1)25-26(29-15-16-31-27(29)28-25)30-23-11-5-3-9-21(23)22-10-4-6-12-24(22)30/h1-17H
InChIKeyZJXKBZIGIKWZBV-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.84
Rot. Bonds2

About 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (PubChem CID 59691047) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
PubChem CID59691047
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc2cc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)ccc2c1
InChIInChI=1S/C27H17N3O/c1-2-8-19-17-20(14-13-18(19)7-1)25-26(29-15-16-31-27(29)28-25)30-23-11-5-3-9-21(23)22-10-4-6-12-24(22)30/h1-17H
InChIKeyZJXKBZIGIKWZBV-UHFFFAOYSA-N
XLogP6.84
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (CID 59691047) is 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is c1ccc2cc(-c3nc4occn4c3-n3c4ccccc4c4ccccc43)ccc2c1.
What is the InChIKey of 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The InChIKey is ZJXKBZIGIKWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c1-2-8-19-17-20(14-13-18(19)7-1)25-26(29-15-16-31-27(29)28-25)30-23-11-5-3-9-21(23)22-10-4-6-12-24(22)30/h1-17H.
What are the key properties of 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole has a molecular weight of 399.45 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).