2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

C42H18N12O6 — CID 58625631

IUPAC2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3c(-c4nc5ncccc5o4)c(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)c3-c3nc4cccnc4o3)nc2c1
InChIInChI=1S/C42H18N12O6/c1-7-19-32(44-14-1)56-37(49-19)25-26(38-50-20-8-2-15-45-33(20)57-38)28(40-52-22-10-4-17-47-35(22)59-40)30(42-54-31-24(55-42)12-6-13-43-31)29(41-53-23-11-5-18-48-36(23)60-41)27(25)39-51-21-9-3-16-46-34(21)58-39/h1-18H
InChIKeyKODUWVFJNOMHQU-UHFFFAOYSA-N
MW786.68 g/mol
LogP8.91
Rot. Bonds6

About 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58625631) has the molecular formula C42H18N12O6 and a molecular weight of 786.68 g/mol. Its IUPAC name is 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58625631
Molecular FormulaC42H18N12O6
Molecular Weight786.68 g/mol
Exact Mass786.15
IUPAC Name2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3c(-c4nc5ncccc5o4)c(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)c3-c3nc4cccnc4o3)nc2c1
InChIInChI=1S/C42H18N12O6/c1-7-19-32(44-14-1)56-37(49-19)25-26(38-50-20-8-2-15-45-33(20)57-38)28(40-52-22-10-4-17-47-35(22)59-40)30(42-54-31-24(55-42)12-6-13-43-31)29(41-53-23-11-5-18-48-36(23)60-41)27(25)39-51-21-9-3-16-46-34(21)58-39/h1-18H
InChIKeyKODUWVFJNOMHQU-UHFFFAOYSA-N
XLogP8.91
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.68
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91678562
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 159330620
2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 141361591
2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 22754795
2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 95911073
2-[4-(furan-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 168526083
2,6-dibromo-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 17274028
4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenol;4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol
CID 160621191
2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
CID 89434382
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 936032
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802

Frequently Asked Questions

What is the IUPAC name of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 58625631) is 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3c(-c4nc5ncccc5o4)c(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)c3-c3nc4cccnc4o3)nc2c1.
What is the InChIKey of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is KODUWVFJNOMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H18N12O6/c1-7-19-32(44-14-1)56-37(49-19)25-26(38-50-20-8-2-15-45-33(20)57-38)28(40-52-22-10-4-17-47-35(22)59-40)30(42-54-31-24(55-42)12-6-13-43-31)29(41-53-23-11-5-18-48-36(23)60-41)27(25)39-51-21-9-3-16-46-34(21)58-39/h1-18H.
What are the key properties of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 786.68 g/mol, XLogP of 8.91, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58625631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).