3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile

C24H18Cl2N4O4 — CID 44550965

IUPAC3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N5CCOCC5)ccc34)ccc2Cl)c1
InChIInChI=1S/C24H18Cl2N4O4/c25-16-9-15(13-27)10-18(11-16)33-22-12-17(1-3-20(22)26)32-14-21-19-2-4-23(28-24(19)34-29-21)30-5-7-31-8-6-30/h1-4,9-12H,5-8,14H2
InChIKeyMTRKHPRLYCESCD-UHFFFAOYSA-N
MW497.34 g/mol
LogP5.61
Rot. Bonds6

About 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile

3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile (PubChem CID 44550965) has the molecular formula C24H18Cl2N4O4 and a molecular weight of 497.34 g/mol. Its IUPAC name is 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile
PubChem CID44550965
Molecular FormulaC24H18Cl2N4O4
Molecular Weight497.34 g/mol
Exact Mass496.07
IUPAC Name3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N5CCOCC5)ccc34)ccc2Cl)c1
InChIInChI=1S/C24H18Cl2N4O4/c25-16-9-15(13-27)10-18(11-16)33-22-12-17(1-3-20(22)26)32-14-21-19-2-4-23(28-24(19)34-29-21)30-5-7-31-8-6-30/h1-4,9-12H,5-8,14H2
InChIKeyMTRKHPRLYCESCD-UHFFFAOYSA-N
XLogP5.61
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.34
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile?
The IUPAC name of 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile (CID 44550965) is 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile is N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N5CCOCC5)ccc34)ccc2Cl)c1.
What is the InChIKey of 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile?
The InChIKey is MTRKHPRLYCESCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O4/c25-16-9-15(13-27)10-18(11-16)33-22-12-17(1-3-20(22)26)32-14-21-19-2-4-23(28-24(19)34-29-21)30-5-7-31-8-6-30/h1-4,9-12H,5-8,14H2.
What are the key properties of 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile?
3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile has a molecular weight of 497.34 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-chloro-5-[(6-morpholin-4-yl-[1,2]oxazolo[5,4-b]pyridin-3-yl)methoxy]phenoxy]benzonitrile is sourced from PubChem (CID 44550965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).