2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole

C26H17N3O2 — CID 141495117

IUPAC2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-c5ncco5)c4)cc32)nc1
InChIInChI=1S/C26H17N3O2/c1-2-9-23-21(8-1)22-12-11-20(17-24(22)29(23)25-10-3-4-13-27-25)31-19-7-5-6-18(16-19)26-28-14-15-30-26/h1-17H
InChIKeySRFQNVWLCCTTLC-UHFFFAOYSA-N
MW403.44 g/mol
LogP6.63
Rot. Bonds4

About 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole

2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole (PubChem CID 141495117) has the molecular formula C26H17N3O2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
PubChem CID141495117
Molecular FormulaC26H17N3O2
Molecular Weight403.44 g/mol
Exact Mass403.13
IUPAC Name2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-c5ncco5)c4)cc32)nc1
InChIInChI=1S/C26H17N3O2/c1-2-9-23-21(8-1)22-12-11-20(17-24(22)29(23)25-10-3-4-13-27-25)31-19-7-5-6-18(16-19)26-28-14-15-30-26/h1-17H
InChIKeySRFQNVWLCCTTLC-UHFFFAOYSA-N
XLogP6.63
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
CID 140729993
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]carbazole
CID 160821380
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole?
The IUPAC name of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole (CID 141495117) is 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole is c1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-c5ncco5)c4)cc32)nc1.
What is the InChIKey of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole?
The InChIKey is SRFQNVWLCCTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2/c1-2-9-23-21(8-1)22-12-11-20(17-24(22)29(23)25-10-3-4-13-27-25)31-19-7-5-6-18(16-19)26-28-14-15-30-26/h1-17H.
What are the key properties of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole?
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole has a molecular weight of 403.44 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole is sourced from PubChem (CID 141495117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).