ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C26H25ClN4O5 — CID 66604149

IUPACethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1(Oc2ccc(Cl)cc2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21
InChIInChI=1S/C26H25ClN4O5/c1-4-34-25(32)26(36-19-9-7-18(27)8-10-19)12-5-13-31-23(29-30-24(26)31)17-6-11-20(21(14-17)33-3)22-15-28-16(2)35-22/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyZTEOIXKHPHESCB-UHFFFAOYSA-N
MW508.96 g/mol
LogP5.20
Rot. Bonds7

About ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 66604149) has the molecular formula C26H25ClN4O5 and a molecular weight of 508.96 g/mol. Its IUPAC name is ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID66604149
Molecular FormulaC26H25ClN4O5
Molecular Weight508.96 g/mol
Exact Mass508.15
IUPAC Nameethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1(Oc2ccc(Cl)cc2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21
InChIInChI=1S/C26H25ClN4O5/c1-4-34-25(32)26(36-19-9-7-18(27)8-10-19)12-5-13-31-23(29-30-24(26)31)17-6-11-20(21(14-17)33-3)22-15-28-16(2)35-22/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyZTEOIXKHPHESCB-UHFFFAOYSA-N
XLogP5.20
TPSA101.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.96
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate 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 ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 66604149) is ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is CCOC(=O)C1(Oc2ccc(Cl)cc2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21.
What is the InChIKey of ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is ZTEOIXKHPHESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O5/c1-4-34-25(32)26(36-19-9-7-18(27)8-10-19)12-5-13-31-23(29-30-24(26)31)17-6-11-20(21(14-17)33-3)22-15-28-16(2)35-22/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 508.96 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 66604149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).