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

C42H24N6O3 — CID 23391321

IUPAC2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)cc(-c5ccc(-c6nc7cccnc7o6)cc5)c4)cc3)nc2c1
InChIInChI=1S/C42H24N6O3/c1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39/h1-24H
InChIKeyVPLQJFZJIIZHAW-UHFFFAOYSA-N
MW660.69 g/mol
LogP10.30
Rot. Bonds6

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

2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391321) has the molecular formula C42H24N6O3 and a molecular weight of 660.69 g/mol. Its IUPAC name is 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID23391321
Molecular FormulaC42H24N6O3
Molecular Weight660.69 g/mol
Exact Mass660.19
IUPAC Name2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)cc(-c5ccc(-c6nc7cccnc7o6)cc5)c4)cc3)nc2c1
InChIInChI=1S/C42H24N6O3/c1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39/h1-24H
InChIKeyVPLQJFZJIIZHAW-UHFFFAOYSA-N
XLogP10.30
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.69
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391321) is 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)cc(-c5ccc(-c6nc7cccnc7o6)cc5)c4)cc3)nc2c1.
What is the InChIKey of 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is VPLQJFZJIIZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6O3/c1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39/h1-24H.
What are the key properties of 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 660.69 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).