5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole

C23H16Cl3F3N4O2 — CID 157279232

IUPAC5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESC=C1CCC(COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)C1
InChIInChI=1S/C23H16Cl3F3N4O2/c1-11-2-3-12(4-11)10-34-19-7-15(24)14(6-16(19)25)20-31-22(35-32-20)18-9-33-8-13(23(27,28)29)5-17(26)21(33)30-18/h5-9,12H,1-4,10H2
InChIKeySTGSCFUTDXSGFX-UHFFFAOYSA-N
MW543.76 g/mol
LogP7.77
Rot. Bonds5

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 157279232) has the molecular formula C23H16Cl3F3N4O2 and a molecular weight of 543.76 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID157279232
Molecular FormulaC23H16Cl3F3N4O2
Molecular Weight543.76 g/mol
Exact Mass542.03
IUPAC Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESC=C1CCC(COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)C1
InChIInChI=1S/C23H16Cl3F3N4O2/c1-11-2-3-12(4-11)10-34-19-7-15(24)14(6-16(19)25)20-31-22(35-32-20)18-9-33-8-13(23(27,28)29)5-17(26)21(33)30-18/h5-9,12H,1-4,10H2
InChIKeySTGSCFUTDXSGFX-UHFFFAOYSA-N
XLogP7.77
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.76
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole (CID 157279232) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole is C=C1CCC(COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)C1.
What is the InChIKey of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is STGSCFUTDXSGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3F3N4O2/c1-11-2-3-12(4-11)10-34-19-7-15(24)14(6-16(19)25)20-31-22(35-32-20)18-9-33-8-13(23(27,28)29)5-17(26)21(33)30-18/h5-9,12H,1-4,10H2.
What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole?
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 543.76 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(3-methylidenecyclopentyl)methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157279232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).