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

C27H18N6O3 — CID 23399510

IUPAC2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1c(-c2nc3cccnc3o2)c(C)c(-c2nc3cccnc3o2)c(C)c1-c1nc2cccnc2o1
InChIInChI=1S/C27H18N6O3/c1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26/h4-12H,1-3H3
InChIKeyXXROPNQWRYGWSH-UHFFFAOYSA-N
MW474.48 g/mol
LogP6.22
Rot. Bonds3

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

2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23399510) has the molecular formula C27H18N6O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID23399510
Molecular FormulaC27H18N6O3
Molecular Weight474.48 g/mol
Exact Mass474.14
IUPAC Name2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1c(-c2nc3cccnc3o2)c(C)c(-c2nc3cccnc3o2)c(C)c1-c1nc2cccnc2o1
InChIInChI=1S/C27H18N6O3/c1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26/h4-12H,1-3H3
InChIKeyXXROPNQWRYGWSH-UHFFFAOYSA-N
XLogP6.22
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23399510) is 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is Cc1c(-c2nc3cccnc3o2)c(C)c(-c2nc3cccnc3o2)c(C)c1-c1nc2cccnc2o1.
What is the InChIKey of 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is XXROPNQWRYGWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O3/c1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26/h4-12H,1-3H3.
What are the key properties of 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 474.48 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23399510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).