2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole

C23H21N3O3S — CID 47773535

IUPAC2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccccc1-c1nnc(SCc2ccc(OCc3ccccn3)cc2)o1
InChIInChI=1S/C23H21N3O3S/c1-2-27-21-9-4-3-8-20(21)22-25-26-23(29-22)30-16-17-10-12-19(13-11-17)28-15-18-7-5-6-14-24-18/h3-14H,2,15-16H2,1H3
InChIKeyOYIKQZXUTNXQHO-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.40
Rot. Bonds9

About 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole

2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 47773535) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID47773535
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccccc1-c1nnc(SCc2ccc(OCc3ccccn3)cc2)o1
InChIInChI=1S/C23H21N3O3S/c1-2-27-21-9-4-3-8-20(21)22-25-26-23(29-22)30-16-17-10-12-19(13-11-17)28-15-18-7-5-6-14-24-18/h3-14H,2,15-16H2,1H3
InChIKeyOYIKQZXUTNXQHO-UHFFFAOYSA-N
XLogP5.40
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole 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

2-[[4-(4-Methoxyphenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212403
2-[(4-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 76321807
3-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-pyridine
CID 3186457
1-[4-Methoxy-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 2399072
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 137638150
2-(4-Methoxyphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859860
N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide
CID 10222433
2-(2-Methoxyphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 24321856
2-(3-Methoxyphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 24322378
N-[2-(2-azidoethoxy)ethyl]-4-[[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-pyridinyl]oxy]butanamide
CID 60182294
2-[(6-Chloro-3-pyridinyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 31056890
2-[(6-Chloro-3-pyridinyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 51348488

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole (CID 47773535) is 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole is CCOc1ccccc1-c1nnc(SCc2ccc(OCc3ccccn3)cc2)o1.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is OYIKQZXUTNXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-2-27-21-9-4-3-8-20(21)22-25-26-23(29-22)30-16-17-10-12-19(13-11-17)28-15-18-7-5-6-14-24-18/h3-14H,2,15-16H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 419.51 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47773535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).