2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole

C33H20N4O2 — CID 142328655

About 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole

2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142328655) has the molecular formula C33H20N4O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 142328655
• Molecular Formula: C33H20N4O2
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.16
• IUPAC Name: 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5nc6ccccc6o5)cc43)ccc2-c2ncco2)nc1
• InChI: InChI=1S/C33H20N4O2/c1-3-10-29-23(7-1)24-14-12-21(32-36-28-9-2-4-11-31(28)39-32)19-30(24)37(29)22-13-15-25(33-35-17-18-38-33)26(20-22)27-8-5-6-16-34-27/h1-20H
• InChIKey: MDDWEIDFBRNDJL-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole?

The IUPAC name of 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole (CID 142328655) is 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole.

What is the SMILES notation for 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole?

The canonical SMILES for 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5nc6ccccc6o5)cc43)ccc2-c2ncco2)nc1.

What is the InChIKey of 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole?

The InChIKey is MDDWEIDFBRNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O2/c1-3-10-29-23(7-1)24-14-12-21(32-36-28-9-2-4-11-31(28)39-32)19-30(24)37(29)22-13-15-25(33-35-17-18-38-33)26(20-22)27-8-5-6-16-34-27/h1-20H.

What are the key properties of 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole?

2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 504.55 g/mol, XLogP of 8.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142328655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).