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

C30H18N4OS — CID 58803486

IUPAC2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3ccc(-c4ccc(-c5ccc(-c6nc7cccnc7s6)cc5)cc4)cc3)nc2c1
InChIInChI=1S/C30H18N4OS/c1-3-25-28(31-17-1)35-27(33-25)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)29-34-26-4-2-18-32-30(26)36-29/h1-18H
InChIKeyLZCJOUKCMAJEPL-UHFFFAOYSA-N
MW482.57 g/mol
LogP7.90
Rot. Bonds4

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

2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58803486) has the molecular formula C30H18N4OS and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58803486
Molecular FormulaC30H18N4OS
Molecular Weight482.57 g/mol
Exact Mass482.12
IUPAC Name2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3ccc(-c4ccc(-c5ccc(-c6nc7cccnc7s6)cc5)cc4)cc3)nc2c1
InChIInChI=1S/C30H18N4OS/c1-3-25-28(31-17-1)35-27(33-25)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)29-34-26-4-2-18-32-30(26)36-29/h1-18H
InChIKeyLZCJOUKCMAJEPL-UHFFFAOYSA-N
XLogP7.90
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 58803486) is 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3ccc(-c4ccc(-c5ccc(-c6nc7cccnc7s6)cc5)cc4)cc3)nc2c1.
What is the InChIKey of 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is LZCJOUKCMAJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4OS/c1-3-25-28(31-17-1)35-27(33-25)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)29-34-26-4-2-18-32-30(26)36-29/h1-18H.
What are the key properties of 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 482.57 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58803486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).