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

C33H20N4O2 — CID 142329611

IUPAC2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ncco5)c(-c5nc6ccccc6o5)cc43)c2)nc1
InChIInChI=1S/C33H20N4O2/c1-3-13-29-23(10-1)24-19-25(32-35-16-17-38-32)26(33-36-28-12-2-4-14-31(28)39-33)20-30(24)37(29)22-9-7-8-21(18-22)27-11-5-6-15-34-27/h1-20H
InChIKeyPWMTZKLZFAZAML-UHFFFAOYSA-N
MW504.55 g/mol
LogP8.31
Rot. Bonds4

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

2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142329611) has the molecular formula C33H20N4O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID142329611
Molecular FormulaC33H20N4O2
Molecular Weight504.55 g/mol
Exact Mass504.16
IUPAC Name2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ncco5)c(-c5nc6ccccc6o5)cc43)c2)nc1
InChIInChI=1S/C33H20N4O2/c1-3-13-29-23(10-1)24-19-25(32-35-16-17-38-32)26(33-36-28-12-2-4-14-31(28)39-33)20-30(24)37(29)22-9-7-8-21(18-22)27-11-5-6-15-34-27/h1-20H
InChIKeyPWMTZKLZFAZAML-UHFFFAOYSA-N
XLogP8.31
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328655
2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328212
2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285096
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
CID 142328645
2-[9-[3-[3-(furan-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328834
20-(3-pyridin-2-ylphenyl)-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 142329611) is 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ncco5)c(-c5nc6ccccc6o5)cc43)c2)nc1.
What is the InChIKey of 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is PWMTZKLZFAZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O2/c1-3-13-29-23(10-1)24-19-25(32-35-16-17-38-32)26(33-36-28-12-2-4-14-31(28)39-33)20-30(24)37(29)22-9-7-8-21(18-22)27-11-5-6-15-34-27/h1-20H.
What are the key properties of 2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
2-[3-(1,3-oxazol-2-yl)-9-(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-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142329611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).