5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole

C24H22Cl2N4O3 — CID 66604230

IUPAC5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole
SMILESCOc1cc(-c2nnc3n2CCCC3(OC)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1
InChIInChI=1S/C24H22Cl2N4O3/c1-14-27-13-21(33-14)17-7-5-15(11-20(17)31-2)22-28-29-23-24(32-3,9-4-10-30(22)23)16-6-8-18(25)19(26)12-16/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyUBHOIFOONQXXDA-UHFFFAOYSA-N
MW485.37 g/mol
LogP5.91
Rot. Bonds5

About 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole

5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole (PubChem CID 66604230) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole
PubChem CID66604230
Molecular FormulaC24H22Cl2N4O3
Molecular Weight485.37 g/mol
Exact Mass484.11
IUPAC Name5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole
SMILESCOc1cc(-c2nnc3n2CCCC3(OC)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1
InChIInChI=1S/C24H22Cl2N4O3/c1-14-27-13-21(33-14)17-7-5-15(11-20(17)31-2)22-28-29-23-24(32-3,9-4-10-30(22)23)16-6-8-18(25)19(26)12-16/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyUBHOIFOONQXXDA-UHFFFAOYSA-N
XLogP5.91
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole with MolForge

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Related Compounds

2-(3-(3-Methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl)-8-(3,4,5-trifluorophenoxy)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyridin-8-yl)propan-2-ol
CID 66604261
8-[4-Chloro-2-(trifluoromethyl)phenyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 50899038
2-{(8R)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-(3,4,5-trifluorophenoxy)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
CID 56837196
CID 57521199
CID 57521199
2-[8-(3,4-difluorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 66603791
{8-(3,4-Difluorobenzyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}methanol
CID 66603794
8-(3,4-Dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 66603930
N-({8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}methyl)acetamide
CID 66603938
2-{8-(3,4-Difluorobenzyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
CID 66603942
2-[8-(3-chloro-4-fluorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 66603958
1-{8-(3,4-Dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}methanamine
CID 66604087
8-(3,4-Difluorobenzyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 66604091

Frequently Asked Questions

What is the IUPAC name of 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole (CID 66604230) is 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole is COc1cc(-c2nnc3n2CCCC3(OC)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1.
What is the InChIKey of 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole?
The InChIKey is UBHOIFOONQXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-14-27-13-21(33-14)17-7-5-15(11-20(17)31-2)22-28-29-23-24(32-3,9-4-10-30(22)23)16-6-8-18(25)19(26)12-16/h5-8,11-13H,4,9-10H2,1-3H3.
What are the key properties of 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole?
5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole has a molecular weight of 485.37 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[8-(3,4-dichlorophenyl)-8-methoxy-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 66604230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).