4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid

C25H21Cl2N3O4 — CID 58554087

IUPAC4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid
SMILESCOCc1cc(-c2nc(-c3cnc(CCCC(=O)O)c(Cl)c3)no2)ccc1-c1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3O4/c1-33-14-17-11-15(9-10-18(17)19-5-2-3-6-20(19)26)25-29-24(30-34-25)16-12-21(27)22(28-13-16)7-4-8-23(31)32/h2-3,5-6,9-13H,4,7-8,14H2,1H3,(H,31,32)
InChIKeyLHDNEYHBKKUJBT-UHFFFAOYSA-N
MW498.37 g/mol
LogP6.33
Rot. Bonds9

About 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid

4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid (PubChem CID 58554087) has the molecular formula C25H21Cl2N3O4 and a molecular weight of 498.37 g/mol. Its IUPAC name is 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid
PubChem CID58554087
Molecular FormulaC25H21Cl2N3O4
Molecular Weight498.37 g/mol
Exact Mass497.09
IUPAC Name4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid
SMILESCOCc1cc(-c2nc(-c3cnc(CCCC(=O)O)c(Cl)c3)no2)ccc1-c1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3O4/c1-33-14-17-11-15(9-10-18(17)19-5-2-3-6-20(19)26)25-29-24(30-34-25)16-12-21(27)22(28-13-16)7-4-8-23(31)32/h2-3,5-6,9-13H,4,7-8,14H2,1H3,(H,31,32)
InChIKeyLHDNEYHBKKUJBT-UHFFFAOYSA-N
XLogP6.33
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.37
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-chloro-5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propan-1-ol
CID 58554158
2-[[5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl-methylamino]acetic acid
CID 46908436
tert-butyl 4-[5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-2-pyridinyl]butanoate
CID 58554108
2-[[4-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]acetic acid
CID 46940920
3-(6-chloro-3-pyridinyl)-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 46909302
methyl 2-chloro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 66678050
cis-(1R,2S)-2-[[3-chloro-5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 58554090
3-[[3-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]propanoic acid
CID 58066313
tert-butyl 3-[[3-chloro-5-[5-[4-(3-fluoro-2-methylphenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]propanoate
CID 67135479
5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 46908810
5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine
CID 46908340
4-[5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butan-2-ol
CID 58554129

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid (CID 58554087) is 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid is COCc1cc(-c2nc(-c3cnc(CCCC(=O)O)c(Cl)c3)no2)ccc1-c1ccccc1Cl.
What is the InChIKey of 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid?
The InChIKey is LHDNEYHBKKUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O4/c1-33-14-17-11-15(9-10-18(17)19-5-2-3-6-20(19)26)25-29-24(30-34-25)16-12-21(27)22(28-13-16)7-4-8-23(31)32/h2-3,5-6,9-13H,4,7-8,14H2,1H3,(H,31,32).
What are the key properties of 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid?
4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid has a molecular weight of 498.37 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[5-[4-(2-chlorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butanoic acid is sourced from PubChem (CID 58554087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).